REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1ez1_1_B DATA FIRST_RESID 2 DATA SEQUENCE TLLGTALRPA ATRVMLLGSG ELGKEVAIEC QRLGVEVIAV DRYADAPAMH DATA SEQUENCE VAHRSHVINM LDGDALRRVV ELEKPHYIVP EIEAIATDML IQLEEEGLNV DATA SEQUENCE VPCARATKLT MNREGIRRLA AEELQLPTST YRFADSESLF REAVADIGYP DATA SEQUENCE CIVKPVMSSS GKGQTFIRSA EQLAQAWKYA QQGGRAXXGR VIVEGVVKFD DATA SEQUENCE FEITLLTVSA VDGVHFCAPV GHRQEDGDYR ESWQPQQMSP LALERAQEIA DATA SEQUENCE RKVVLALGGY GLFGVELFVC GDEVIFSEVS PRPHDTGMVT LISQDLSEFA DATA SEQUENCE LHVRAFLGLP VGGIRQYGPA ASAVILPQLT SQNVTFDNVQ NAVGADLQIR DATA SEQUENCE LFGKPEIDGS RRLGVALATA ESVVDAIERA KHAAGQVKVQ G VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.705 174.700 0.008 0.000 1.109 2 T CA 0.000 62.114 62.100 0.023 0.000 1.349 2 T CB 0.000 68.872 68.868 0.006 0.000 0.612 3 L N 4.563 125.793 121.223 0.012 0.000 2.313 3 L HA 0.792 5.131 4.340 -0.002 0.000 0.283 3 L C -1.429 175.432 176.870 -0.016 0.000 1.013 3 L CA -0.535 54.303 54.840 -0.004 0.000 0.816 3 L CB 0.886 42.942 42.059 -0.005 0.000 1.236 3 L HN 0.645 nan 8.230 nan 0.000 0.419 4 L N 5.007 126.218 121.223 -0.021 0.000 2.329 4 L HA 0.722 5.061 4.340 -0.002 0.000 0.279 4 L C 0.819 177.670 176.870 -0.031 0.000 1.014 4 L CA -0.628 54.194 54.840 -0.030 0.000 0.814 4 L CB 1.707 43.752 42.059 -0.024 0.000 1.257 4 L HN 0.769 nan 8.230 nan 0.000 0.424 5 G N 1.156 109.930 108.800 -0.042 0.000 2.509 5 G HA2 0.422 4.380 3.960 -0.002 0.000 0.269 5 G HA3 0.422 4.380 3.960 -0.002 0.000 0.269 5 G C -0.583 174.307 174.900 -0.017 0.000 1.416 5 G CA -0.252 44.832 45.100 -0.027 0.000 1.052 5 G HN 0.451 nan 8.290 nan 0.000 0.542 6 T N 0.690 115.236 114.554 -0.014 0.000 2.758 6 T HA 0.570 4.919 4.350 -0.002 0.000 0.285 6 T C 0.548 175.230 174.700 -0.031 0.000 0.981 6 T CA 0.069 62.161 62.100 -0.012 0.000 0.965 6 T CB 1.156 70.020 68.868 -0.006 0.000 0.927 6 T HN 0.828 nan 8.240 nan 0.000 0.448 7 A N 3.549 126.342 122.820 -0.046 0.000 2.565 7 A HA 0.401 4.720 4.320 -0.002 0.000 0.237 7 A C 1.297 178.791 177.584 -0.149 0.000 1.053 7 A CA 0.184 52.129 52.037 -0.154 0.000 0.755 7 A CB -0.678 18.182 19.000 -0.232 0.000 0.980 7 A HN 1.188 nan 8.150 nan 0.000 0.506 8 L N -0.828 120.285 121.223 -0.183 0.000 5.060 8 L HA -0.192 4.147 4.340 -0.002 0.000 0.408 8 L C 0.573 177.416 176.870 -0.046 0.000 0.917 8 L CA 0.912 55.687 54.840 -0.108 0.000 1.627 8 L CB -1.368 40.643 42.059 -0.080 0.000 1.732 8 L HN 0.778 nan 8.230 nan 0.000 0.611 9 R N 0.369 120.848 120.500 -0.035 0.000 2.643 9 R HA 0.424 4.763 4.340 -0.002 0.000 0.272 9 R C -1.379 174.919 176.300 -0.004 0.000 0.995 9 R CA -2.228 53.864 56.100 -0.014 0.000 1.032 9 R CB -0.045 30.250 30.300 -0.009 0.000 1.126 9 R HN -0.247 nan 8.270 nan 0.000 0.505 10 P HA -0.117 nan 4.420 nan 0.000 0.217 10 P C 0.500 177.816 177.300 0.027 0.000 1.148 10 P CA 1.424 64.532 63.100 0.013 0.000 0.828 10 P CB 0.184 31.890 31.700 0.010 0.000 0.783 11 A N -1.232 121.601 122.820 0.021 0.000 2.370 11 A HA 0.506 4.825 4.320 -0.002 0.000 0.238 11 A C 1.005 178.601 177.584 0.021 0.000 1.289 11 A CA -0.047 52.007 52.037 0.027 0.000 0.885 11 A CB -1.041 17.966 19.000 0.011 0.000 0.961 11 A HN 0.218 nan 8.150 nan 0.000 0.499 12 A N 0.063 122.899 122.820 0.027 0.000 2.555 12 A HA 0.406 4.725 4.320 -0.002 0.000 0.233 12 A C 0.569 178.173 177.584 0.034 0.000 1.060 12 A CA 0.615 52.661 52.037 0.016 0.000 0.759 12 A CB -0.183 18.818 19.000 0.002 0.000 0.995 12 A HN 0.326 nan 8.150 nan 0.000 0.506 13 T N 3.285 117.820 114.554 -0.031 0.000 2.744 13 T HA 0.425 4.774 4.350 -0.002 0.000 0.291 13 T C 0.150 174.953 174.700 0.172 0.000 0.957 13 T CA -0.085 61.936 62.100 -0.132 0.000 1.002 13 T CB 0.295 69.115 68.868 -0.079 0.000 0.919 13 T HN 0.599 nan 8.240 nan 0.000 0.468 14 R N 2.170 122.990 120.500 0.532 0.000 2.393 14 R HA 0.652 4.991 4.340 -0.002 0.000 0.310 14 R C -1.103 175.424 176.300 0.379 0.000 0.968 14 R CA -0.725 55.599 56.100 0.373 0.000 0.867 14 R CB 1.740 32.193 30.300 0.254 0.000 1.124 14 R HN 0.343 nan 8.270 nan 0.000 0.450 15 V N 4.706 124.783 119.914 0.271 0.000 2.448 15 V HA 0.365 4.484 4.120 -0.002 0.000 0.295 15 V C -0.299 175.878 176.094 0.139 0.000 1.025 15 V CA -0.670 61.767 62.300 0.228 0.000 0.859 15 V CB 1.772 33.724 31.823 0.216 0.000 0.988 15 V HN 0.727 nan 8.190 nan 0.000 0.431 16 M N 6.455 126.107 119.600 0.087 0.000 2.167 16 M HA 0.590 5.068 4.480 -0.002 0.000 0.333 16 M C -1.621 174.696 176.300 0.028 0.000 1.030 16 M CA -0.475 54.861 55.300 0.060 0.000 0.963 16 M CB 1.161 33.785 32.600 0.040 0.000 1.589 16 M HN 0.516 nan 8.290 nan 0.000 0.431 17 L N 6.038 127.281 121.223 0.034 0.000 2.292 17 L HA 0.417 4.755 4.340 -0.002 0.000 0.284 17 L C -0.864 176.009 176.870 0.006 0.000 1.065 17 L CA -0.402 54.447 54.840 0.015 0.000 0.806 17 L CB 1.211 43.280 42.059 0.017 0.000 1.175 17 L HN 0.718 nan 8.230 nan 0.000 0.431 18 L N 4.303 125.524 121.223 -0.004 0.000 2.335 18 L HA 0.623 4.962 4.340 -0.002 0.000 0.268 18 L C 0.160 177.022 176.870 -0.012 0.000 1.037 18 L CA -0.480 54.356 54.840 -0.007 0.000 0.895 18 L CB 0.909 42.962 42.059 -0.010 0.000 1.266 18 L HN 0.844 nan 8.230 nan 0.000 0.439 19 G N 1.160 109.948 108.800 -0.021 0.000 3.363 19 G HA2 -0.111 3.848 3.960 -0.002 0.000 0.685 19 G HA3 -0.111 3.848 3.960 -0.002 0.000 0.685 19 G C -0.289 174.580 174.900 -0.051 0.000 1.199 19 G CA -0.790 44.292 45.100 -0.031 0.000 0.946 19 G HN 0.380 nan 8.290 nan 0.000 0.558 20 S N 1.256 116.905 115.700 -0.085 0.000 2.661 20 S HA 0.567 5.035 4.470 -0.002 0.000 0.245 20 S C 1.235 175.760 174.600 -0.125 0.000 1.117 20 S CA 0.202 58.335 58.200 -0.112 0.000 1.091 20 S CB 0.718 63.832 63.200 -0.142 0.000 0.887 20 S HN 1.355 nan 8.310 nan 0.000 0.491 21 G N 2.039 110.776 108.800 -0.105 0.000 2.494 21 G HA2 0.239 4.198 3.960 -0.002 0.000 0.270 21 G HA3 0.239 4.198 3.960 -0.002 0.000 0.270 21 G C 0.994 175.734 174.900 -0.266 0.000 1.423 21 G CA -0.386 44.638 45.100 -0.127 0.000 1.055 21 G HN 0.370 nan 8.290 nan 0.000 0.536 22 E N -0.449 119.478 120.200 -0.456 0.000 2.209 22 E HA -0.150 4.199 4.350 -0.002 0.000 0.196 22 E C 2.320 178.577 176.600 -0.572 0.000 0.993 22 E CA 0.931 56.853 56.400 -0.797 0.000 0.819 22 E CB -0.343 28.245 29.700 -1.854 0.000 0.745 22 E HN 0.483 nan 8.360 nan 0.000 0.477 23 L N 0.684 121.698 121.223 -0.348 0.000 2.023 23 L HA 0.029 4.368 4.340 -0.002 0.000 0.205 23 L C 2.821 179.547 176.870 -0.241 0.000 1.073 23 L CA 1.272 55.990 54.840 -0.204 0.000 0.745 23 L CB -0.942 41.157 42.059 0.068 0.000 0.900 23 L HN 0.232 nan 8.230 nan 0.000 0.435 24 G N -0.036 108.675 108.800 -0.148 0.000 2.448 24 G HA2 -0.272 3.686 3.960 -0.002 0.000 0.219 24 G HA3 -0.272 3.686 3.960 -0.002 0.000 0.219 24 G C 1.684 176.493 174.900 -0.151 0.000 1.127 24 G CA 0.664 45.708 45.100 -0.093 0.000 0.766 24 G HN 0.273 nan 8.290 nan 0.000 0.552 25 K N 0.254 120.507 120.400 -0.245 0.000 2.057 25 K HA -0.097 4.222 4.320 -0.002 0.000 0.207 25 K C 2.297 178.744 176.600 -0.255 0.000 1.049 25 K CA 1.282 57.431 56.287 -0.230 0.000 0.931 25 K CB -0.057 32.285 32.500 -0.263 0.000 0.714 25 K HN 0.175 nan 8.250 nan 0.000 0.440 26 E N 0.342 120.264 120.200 -0.463 0.000 2.152 26 E HA -0.118 4.230 4.350 -0.002 0.000 0.192 26 E C 2.090 178.557 176.600 -0.222 0.000 0.983 26 E CA 0.807 56.893 56.400 -0.523 0.000 0.818 26 E CB -0.021 28.991 29.700 -1.147 0.000 0.758 26 E HN 0.146 nan 8.360 nan 0.000 0.467 27 V N 1.681 121.527 119.914 -0.115 0.000 2.343 27 V HA -0.248 3.871 4.120 -0.002 0.000 0.247 27 V C 2.461 178.596 176.094 0.068 0.000 1.051 27 V CA 1.767 64.138 62.300 0.118 0.000 1.036 27 V CB -0.806 31.146 31.823 0.216 0.000 0.654 27 V HN 0.231 nan 8.190 nan 0.000 0.451 28 A N -0.063 122.759 122.820 0.002 0.000 1.877 28 A HA -0.184 4.135 4.320 -0.002 0.000 0.216 28 A C 2.199 179.779 177.584 -0.008 0.000 1.186 28 A CA 1.936 53.975 52.037 0.005 0.000 0.620 28 A CB -0.561 18.423 19.000 -0.026 0.000 0.822 28 A HN 0.479 nan 8.150 nan 0.000 0.443 29 I N -0.210 120.337 120.570 -0.039 0.000 2.208 29 I HA -0.258 3.911 4.170 -0.002 0.000 0.245 29 I C 2.496 178.609 176.117 -0.007 0.000 1.097 29 I CA 1.440 62.720 61.300 -0.034 0.000 1.363 29 I CB -0.309 37.660 38.000 -0.052 0.000 1.051 29 I HN 0.347 nan 8.210 nan 0.000 0.413 30 E N 0.113 120.318 120.200 0.009 0.000 2.077 30 E HA -0.208 4.141 4.350 -0.002 0.000 0.193 30 E C 2.386 178.985 176.600 -0.002 0.000 0.989 30 E CA 1.349 57.758 56.400 0.014 0.000 0.800 30 E CB -0.558 29.166 29.700 0.040 0.000 0.746 30 E HN 0.543 nan 8.360 nan 0.000 0.452 31 C N 1.298 120.611 119.300 0.022 0.000 2.429 31 C HA -0.100 4.359 4.460 -0.002 0.000 0.277 31 C C 2.684 177.701 174.990 0.045 0.000 1.262 31 C CA 0.478 59.517 59.018 0.034 0.000 1.733 31 C CB -0.694 27.105 27.740 0.098 0.000 2.010 31 C HN 0.443 nan 8.230 nan 0.000 0.483 32 Q N 0.438 120.264 119.800 0.043 0.000 2.135 32 Q HA -0.164 4.175 4.340 -0.002 0.000 0.204 32 Q C 2.243 178.263 176.000 0.033 0.000 0.981 32 Q CA 1.383 57.214 55.803 0.047 0.000 0.856 32 Q CB -0.442 28.290 28.738 -0.009 0.000 0.902 32 Q HN 0.668 nan 8.270 nan 0.000 0.425 33 R N 0.052 120.560 120.500 0.012 0.000 2.193 33 R HA -0.038 4.301 4.340 -0.002 0.000 0.229 33 R C 1.686 177.986 176.300 0.001 0.000 1.110 33 R CA 0.657 56.760 56.100 0.004 0.000 0.988 33 R CB 0.008 30.307 30.300 -0.002 0.000 0.871 33 R HN 0.187 nan 8.270 nan 0.000 0.458 34 L N -1.029 120.193 121.223 -0.001 0.000 2.728 34 L HA 0.284 4.623 4.340 -0.002 0.000 0.238 34 L C 0.893 177.768 176.870 0.009 0.000 1.143 34 L CA 0.042 54.875 54.840 -0.011 0.000 0.937 34 L CB 0.821 42.855 42.059 -0.041 0.000 1.225 34 L HN 0.336 nan 8.230 nan 0.000 0.507 35 G N 0.689 109.511 108.800 0.036 0.000 2.153 35 G HA2 -0.251 3.708 3.960 -0.002 0.000 0.252 35 G HA3 -0.251 3.708 3.960 -0.002 0.000 0.252 35 G C 0.200 175.136 174.900 0.060 0.000 0.994 35 G CA 0.162 45.294 45.100 0.053 0.000 0.698 35 G HN 0.134 nan 8.290 nan 0.000 0.521 36 V N 0.409 120.370 119.914 0.078 0.000 2.583 36 V HA 0.362 4.480 4.120 -0.002 0.000 0.287 36 V C 0.871 177.059 176.094 0.158 0.000 1.051 36 V CA -0.312 62.042 62.300 0.089 0.000 1.010 36 V CB 1.742 33.612 31.823 0.078 0.000 0.988 36 V HN 0.451 nan 8.190 nan 0.000 0.478 37 E N 3.429 123.676 120.200 0.078 0.000 2.290 37 E HA 0.381 4.730 4.350 -0.002 0.000 0.277 37 E C -1.199 175.535 176.600 0.224 0.000 1.035 37 E CA -0.319 56.081 56.400 -0.001 0.000 0.873 37 E CB 1.118 30.746 29.700 -0.120 0.000 1.029 37 E HN 0.511 nan 8.360 nan 0.000 0.419 38 V N 6.278 126.480 119.914 0.480 0.000 2.448 38 V HA 0.366 4.484 4.120 -0.002 0.000 0.295 38 V C -0.319 175.902 176.094 0.211 0.000 1.025 38 V CA -0.761 61.702 62.300 0.271 0.000 0.859 38 V CB 1.386 33.316 31.823 0.177 0.000 0.988 38 V HN 0.564 nan 8.190 nan 0.000 0.431 39 I N 4.104 124.761 120.570 0.144 0.000 2.354 39 I HA 0.663 4.832 4.170 -0.002 0.000 0.286 39 I C 0.433 176.599 176.117 0.082 0.000 1.007 39 I CA -0.191 61.179 61.300 0.117 0.000 1.167 39 I CB 1.713 39.803 38.000 0.150 0.000 1.320 39 I HN 0.673 nan 8.210 nan 0.000 0.458 40 A N 6.710 129.552 122.820 0.036 0.000 2.260 40 A HA 0.792 5.111 4.320 -0.002 0.000 0.314 40 A C -0.426 177.161 177.584 0.004 0.000 1.257 40 A CA -0.480 51.562 52.037 0.007 0.000 0.871 40 A CB 0.555 19.541 19.000 -0.025 0.000 1.166 40 A HN 0.454 nan 8.150 nan 0.000 0.522 41 V N 3.088 123.010 119.914 0.013 0.000 2.513 41 V HA 0.628 4.747 4.120 -0.002 0.000 0.299 41 V C -0.319 175.754 176.094 -0.036 0.000 1.035 41 V CA -0.504 61.809 62.300 0.022 0.000 0.889 41 V CB 1.694 33.548 31.823 0.052 0.000 0.988 41 V HN 1.004 nan 8.190 nan 0.000 0.440 42 D N 1.403 121.768 120.400 -0.059 0.000 2.692 42 D HA 0.338 4.977 4.640 -0.002 0.000 0.303 42 D C 0.248 176.514 176.300 -0.056 0.000 1.278 42 D CA -0.618 53.318 54.000 -0.106 0.000 0.852 42 D CB 2.064 42.698 40.800 -0.277 0.000 1.375 42 D HN 0.541 nan 8.370 nan 0.000 0.453 43 R N -0.063 120.436 120.500 -0.002 0.000 2.334 43 R HA 0.206 4.545 4.340 -0.002 0.000 0.216 43 R C -0.080 176.316 176.300 0.160 0.000 0.905 43 R CA -0.007 56.141 56.100 0.080 0.000 1.064 43 R CB -0.198 30.167 30.300 0.108 0.000 1.046 43 R HN 0.346 nan 8.270 nan 0.000 0.508 44 Y N -2.547 117.769 120.300 0.026 0.000 2.588 44 Y HA 0.776 5.323 4.550 -0.005 0.000 0.343 44 Y C -0.931 174.989 175.900 0.034 0.000 1.065 44 Y CA -1.984 56.133 58.100 0.028 0.000 1.038 44 Y CB 0.956 39.433 38.460 0.028 0.000 1.297 44 Y HN -0.030 nan 8.280 nan 0.000 0.467 45 A N 1.696 124.611 122.820 0.157 0.000 2.371 45 A HA 0.481 4.799 4.320 -0.002 0.000 0.257 45 A C -0.055 177.597 177.584 0.113 0.000 1.089 45 A CA 0.312 52.385 52.037 0.061 0.000 0.794 45 A CB -0.446 18.595 19.000 0.069 0.000 1.029 45 A HN 0.973 nan 8.150 nan 0.000 0.488 46 D N -1.299 119.124 120.400 0.038 0.000 2.870 46 D HA -0.152 4.487 4.640 -0.002 0.000 0.228 46 D C 0.378 176.814 176.300 0.228 0.000 1.147 46 D CA 1.418 55.507 54.000 0.149 0.000 0.757 46 D CB -1.940 38.968 40.800 0.180 0.000 1.091 46 D HN 1.087 nan 8.370 nan 0.000 0.429 47 A N 0.048 122.794 122.820 -0.122 0.000 2.445 47 A HA 0.393 4.711 4.320 -0.002 0.000 0.242 47 A C -0.821 176.716 177.584 -0.078 0.000 1.075 47 A CA -0.630 51.260 52.037 -0.245 0.000 0.777 47 A CB 0.374 18.983 19.000 -0.651 0.000 1.013 47 A HN -0.063 nan 8.150 nan 0.000 0.493 48 P HA -0.321 nan 4.420 nan 0.000 0.219 48 P C 1.588 178.771 177.300 -0.194 0.000 1.161 48 P CA 3.030 65.952 63.100 -0.296 0.000 0.909 48 P CB 0.055 31.626 31.700 -0.215 0.000 0.793 49 A N -1.595 121.146 122.820 -0.132 0.000 2.015 49 A HA -0.158 4.161 4.320 -0.002 0.000 0.219 49 A C 2.116 179.684 177.584 -0.027 0.000 1.163 49 A CA 1.698 53.683 52.037 -0.087 0.000 0.646 49 A CB -1.352 17.596 19.000 -0.086 0.000 0.806 49 A HN 0.162 nan 8.150 nan 0.000 0.448 50 M N -1.344 118.259 119.600 0.005 0.000 2.296 50 M HA -0.127 4.352 4.480 -0.002 0.000 0.265 50 M C 1.847 178.202 176.300 0.091 0.000 1.064 50 M CA 1.189 56.507 55.300 0.030 0.000 1.109 50 M CB -0.699 31.904 32.600 0.006 0.000 1.396 50 M HN 0.533 nan 8.290 nan 0.000 0.430 51 H N -0.312 118.722 119.070 -0.059 0.000 2.422 51 H HA -0.078 4.476 4.556 -0.002 0.000 0.298 51 H C 1.799 177.089 175.328 -0.064 0.000 1.098 51 H CA 1.625 57.646 56.048 -0.046 0.000 1.315 51 H CB 0.168 29.916 29.762 -0.023 0.000 1.382 51 H HN 0.400 nan 8.280 nan 0.000 0.523 52 V N -2.035 117.912 119.914 0.055 0.000 3.319 52 V HA 0.540 4.659 4.120 -0.002 0.000 0.317 52 V C 0.819 176.850 176.094 -0.104 0.000 1.411 52 V CA -0.080 62.200 62.300 -0.033 0.000 1.112 52 V CB -0.063 31.739 31.823 -0.035 0.000 1.031 52 V HN 0.233 nan 8.190 nan 0.000 0.448 53 A N -0.213 122.554 122.820 -0.089 0.000 2.252 53 A HA 0.661 4.980 4.320 -0.002 0.000 0.305 53 A C 0.805 178.273 177.584 -0.192 0.000 1.097 53 A CA -0.056 51.911 52.037 -0.116 0.000 0.849 53 A CB 0.398 19.378 19.000 -0.033 0.000 1.142 53 A HN 0.490 nan 8.150 nan 0.000 0.499 54 H N -0.148 118.923 119.070 0.002 0.000 2.363 54 H HA 0.052 4.606 4.556 -0.002 0.000 0.301 54 H C 0.990 176.304 175.328 -0.023 0.000 1.074 54 H CA 2.043 58.090 56.048 -0.002 0.000 1.354 54 H CB 0.103 29.873 29.762 0.014 0.000 1.397 54 H HN 0.666 nan 8.280 nan 0.000 0.516 55 R N -0.482 120.063 120.500 0.075 0.000 2.733 55 R HA 0.502 4.840 4.340 -0.002 0.000 0.272 55 R C -1.430 174.798 176.300 -0.121 0.000 1.029 55 R CA -0.574 55.504 56.100 -0.037 0.000 0.888 55 R CB 1.557 31.834 30.300 -0.039 0.000 1.251 55 R HN 0.143 nan 8.270 nan 0.000 0.464 56 S N -0.073 115.462 115.700 -0.274 0.000 2.661 56 S HA 0.663 5.132 4.470 -0.002 0.000 0.285 56 S C -1.067 173.131 174.600 -0.669 0.000 1.138 56 S CA -0.873 57.141 58.200 -0.310 0.000 0.855 56 S CB 1.909 65.016 63.200 -0.156 0.000 1.136 56 S HN 0.731 nan 8.310 nan 0.000 0.484 57 H N -0.580 118.477 119.070 -0.021 0.000 2.954 57 H HA 0.492 5.046 4.556 -0.002 0.000 0.361 57 H C -1.505 173.804 175.328 -0.032 0.000 1.122 57 H CA -0.551 55.485 56.048 -0.019 0.000 1.217 57 H CB 1.895 31.649 29.762 -0.014 0.000 1.776 57 H HN 0.514 nan 8.280 nan 0.000 0.533 58 V N 5.574 125.544 119.914 0.094 0.000 2.328 58 V HA 0.386 4.505 4.120 -0.002 0.000 0.278 58 V C 0.451 176.580 176.094 0.057 0.000 1.021 58 V CA -0.376 61.950 62.300 0.044 0.000 0.838 58 V CB 0.561 32.403 31.823 0.032 0.000 0.999 58 V HN 0.607 nan 8.190 nan 0.000 0.447 59 I N 1.613 122.208 120.570 0.042 0.000 3.181 59 I HA 0.641 4.809 4.170 -0.002 0.000 0.311 59 I C -0.820 175.314 176.117 0.027 0.000 1.287 59 I CA -1.058 60.261 61.300 0.032 0.000 0.958 59 I CB 2.488 40.499 38.000 0.018 0.000 1.294 59 I HN 0.357 nan 8.210 nan 0.000 0.467 60 N N 3.128 121.841 118.700 0.021 0.000 2.439 60 N HA 0.387 5.126 4.740 -0.002 0.000 0.243 60 N C 0.187 175.703 175.510 0.011 0.000 1.088 60 N CA -0.403 52.659 53.050 0.020 0.000 0.940 60 N CB 0.702 39.200 38.487 0.018 0.000 1.180 60 N HN 0.784 nan 8.380 nan 0.000 0.505 61 M N 2.674 122.281 119.600 0.011 0.000 2.630 61 M HA -0.026 4.453 4.480 -0.002 0.000 0.254 61 M C 0.949 177.250 176.300 0.001 0.000 1.092 61 M CA 0.827 56.129 55.300 0.004 0.000 1.087 61 M CB 0.068 32.670 32.600 0.003 0.000 1.453 61 M HN 0.469 nan 8.290 nan 0.000 0.509 62 L N -0.658 120.567 121.223 0.004 0.000 2.446 62 L HA 0.034 4.373 4.340 -0.002 0.000 0.219 62 L C 0.737 177.606 176.870 -0.001 0.000 1.116 62 L CA 0.071 54.912 54.840 0.002 0.000 0.844 62 L CB -0.139 41.922 42.059 0.003 0.000 0.970 62 L HN 0.108 nan 8.230 nan 0.000 0.457 63 D N 0.526 120.926 120.400 -0.001 0.000 2.374 63 D HA 0.092 4.731 4.640 -0.002 0.000 0.240 63 D C 1.255 177.549 176.300 -0.009 0.000 1.229 63 D CA 0.129 54.127 54.000 -0.004 0.000 0.895 63 D CB 1.605 42.404 40.800 -0.002 0.000 1.046 63 D HN 0.098 nan 8.370 nan 0.000 0.498 64 G N 3.599 112.394 108.800 -0.010 0.000 2.440 64 G HA2 -0.284 3.675 3.960 -0.002 0.000 0.218 64 G HA3 -0.284 3.675 3.960 -0.002 0.000 0.218 64 G C 1.144 176.034 174.900 -0.018 0.000 1.154 64 G CA 0.470 45.562 45.100 -0.014 0.000 0.767 64 G HN 0.518 nan 8.290 nan 0.000 0.552 65 D N 1.163 121.553 120.400 -0.016 0.000 2.144 65 D HA -0.085 4.554 4.640 -0.002 0.000 0.199 65 D C 2.815 179.101 176.300 -0.024 0.000 0.984 65 D CA 1.226 55.214 54.000 -0.019 0.000 0.834 65 D CB -0.312 40.479 40.800 -0.015 0.000 0.955 65 D HN 0.353 nan 8.370 nan 0.000 0.465 66 A N 1.045 123.853 122.820 -0.021 0.000 1.902 66 A HA -0.136 4.183 4.320 -0.002 0.000 0.217 66 A C 2.208 179.770 177.584 -0.037 0.000 1.181 66 A CA 0.849 52.871 52.037 -0.025 0.000 0.623 66 A CB -0.696 18.295 19.000 -0.014 0.000 0.818 66 A HN 0.177 nan 8.150 nan 0.000 0.443 67 L N -0.095 121.110 121.223 -0.031 0.000 2.017 67 L HA -0.128 4.210 4.340 -0.002 0.000 0.208 67 L C 2.530 179.372 176.870 -0.047 0.000 1.073 67 L CA 2.376 57.194 54.840 -0.036 0.000 0.745 67 L CB -0.583 41.460 42.059 -0.026 0.000 0.894 67 L HN 0.502 nan 8.230 nan 0.000 0.432 68 R N -0.724 119.751 120.500 -0.042 0.000 2.083 68 R HA -0.183 4.155 4.340 -0.002 0.000 0.237 68 R C 2.425 178.690 176.300 -0.058 0.000 1.137 68 R CA 1.637 57.710 56.100 -0.046 0.000 0.951 68 R CB -0.201 30.076 30.300 -0.038 0.000 0.851 68 R HN 0.324 nan 8.270 nan 0.000 0.434 69 R N -0.098 120.367 120.500 -0.058 0.000 2.097 69 R HA -0.162 4.177 4.340 -0.002 0.000 0.236 69 R C 2.378 178.616 176.300 -0.104 0.000 1.135 69 R CA 1.902 57.960 56.100 -0.070 0.000 0.934 69 R CB -0.874 29.389 30.300 -0.062 0.000 0.846 69 R HN 0.167 nan 8.270 nan 0.000 0.431 70 V N 0.709 120.547 119.914 -0.128 0.000 2.332 70 V HA -0.222 3.897 4.120 -0.002 0.000 0.248 70 V C 2.231 178.232 176.094 -0.154 0.000 1.055 70 V CA 1.733 63.910 62.300 -0.204 0.000 1.038 70 V CB -0.098 31.594 31.823 -0.219 0.000 0.651 70 V HN 0.171 nan 8.190 nan 0.000 0.450 71 V N 0.075 119.928 119.914 -0.101 0.000 2.261 71 V HA -0.264 3.855 4.120 -0.002 0.000 0.246 71 V C 2.411 178.454 176.094 -0.084 0.000 1.047 71 V CA 2.531 64.782 62.300 -0.082 0.000 1.015 71 V CB -0.716 31.067 31.823 -0.066 0.000 0.642 71 V HN 0.656 nan 8.190 nan 0.000 0.446 72 E N -0.224 119.929 120.200 -0.080 0.000 2.268 72 E HA -0.212 4.136 4.350 -0.002 0.000 0.195 72 E C 2.057 178.612 176.600 -0.074 0.000 0.995 72 E CA 1.159 57.515 56.400 -0.073 0.000 0.836 72 E CB -0.150 29.513 29.700 -0.061 0.000 0.763 72 E HN 0.519 nan 8.360 nan 0.000 0.491 73 L N 0.875 122.044 121.223 -0.090 0.000 2.131 73 L HA -0.062 4.277 4.340 -0.002 0.000 0.206 73 L C 1.801 178.632 176.870 -0.065 0.000 1.087 73 L CA 1.658 56.448 54.840 -0.082 0.000 0.767 73 L CB 0.178 42.167 42.059 -0.117 0.000 0.917 73 L HN -0.128 nan 8.230 nan 0.000 0.441 74 E N 0.032 120.189 120.200 -0.071 0.000 2.447 74 E HA 0.010 4.358 4.350 -0.002 0.000 0.195 74 E C -0.177 176.392 176.600 -0.052 0.000 1.028 74 E CA 0.014 56.396 56.400 -0.031 0.000 0.876 74 E CB 0.171 29.875 29.700 0.006 0.000 0.885 74 E HN 0.359 nan 8.360 nan 0.000 0.500 75 K N 1.333 121.683 120.400 -0.083 0.000 4.007 75 K HA -0.147 4.171 4.320 -0.002 0.000 0.279 75 K C -2.484 174.005 176.600 -0.184 0.000 0.919 75 K CA 0.426 56.635 56.287 -0.130 0.000 0.800 75 K CB -1.475 30.945 32.500 -0.133 0.000 1.572 75 K HN 0.243 nan 8.250 nan 0.000 0.443 76 P HA 0.162 nan 4.420 nan 0.000 0.276 76 P C 0.369 177.537 177.300 -0.221 0.000 1.244 76 P CA -0.164 62.870 63.100 -0.109 0.000 0.801 76 P CB 0.514 32.204 31.700 -0.016 0.000 1.006 77 H N -0.460 118.570 119.070 -0.066 0.000 2.497 77 H HA 0.144 4.699 4.556 -0.002 0.000 0.282 77 H C -0.147 174.831 175.328 -0.583 0.000 1.003 77 H CA 1.337 57.219 56.048 -0.277 0.000 1.307 77 H CB -0.162 29.464 29.762 -0.226 0.000 1.437 77 H HN 0.390 nan 8.280 nan 0.000 0.544 78 Y N -0.381 119.952 120.300 0.055 0.000 2.421 78 Y HA 0.387 4.935 4.550 -0.003 0.000 0.339 78 Y C -0.921 174.897 175.900 -0.137 0.000 0.996 78 Y CA -1.025 57.022 58.100 -0.088 0.000 1.046 78 Y CB 1.623 39.950 38.460 -0.221 0.000 1.226 78 Y HN -0.151 nan 8.280 nan 0.000 0.445 79 I N 4.062 124.617 120.570 -0.024 0.000 2.330 79 I HA 0.422 4.591 4.170 -0.002 0.000 0.289 79 I C -0.892 175.161 176.117 -0.108 0.000 1.001 79 I CA -0.814 60.454 61.300 -0.053 0.000 1.193 79 I CB 1.127 39.098 38.000 -0.049 0.000 1.345 79 I HN 0.285 nan 8.210 nan 0.000 0.461 80 V N 8.494 128.338 119.914 -0.116 0.000 2.304 80 V HA 0.316 4.435 4.120 -0.002 0.000 0.278 80 V C -2.286 173.790 176.094 -0.030 0.000 1.018 80 V CA -1.848 60.376 62.300 -0.127 0.000 0.814 80 V CB 1.014 32.716 31.823 -0.201 0.000 1.021 80 V HN 0.516 nan 8.190 nan 0.000 0.440 81 P HA 0.144 nan 4.420 nan 0.000 0.271 81 P C 0.516 177.816 177.300 -0.001 0.000 1.216 81 P CA 0.253 63.347 63.100 -0.009 0.000 0.771 81 P CB 1.093 32.785 31.700 -0.014 0.000 0.864 82 E N 2.621 122.816 120.200 -0.009 0.000 2.485 82 E HA 0.083 4.432 4.350 -0.002 0.000 0.213 82 E C 0.359 176.943 176.600 -0.027 0.000 0.923 82 E CA 0.300 56.691 56.400 -0.014 0.000 1.054 82 E CB 0.450 30.144 29.700 -0.010 0.000 1.077 82 E HN 0.450 nan 8.360 nan 0.000 0.509 83 I N -2.694 117.864 120.570 -0.020 0.000 3.042 83 I HA 0.376 4.545 4.170 -0.002 0.000 0.310 83 I C 0.968 177.077 176.117 -0.014 0.000 1.117 83 I CA -0.809 60.481 61.300 -0.018 0.000 1.003 83 I CB 1.869 39.865 38.000 -0.006 0.000 1.228 83 I HN -0.316 nan 8.210 nan 0.000 0.443 84 E N 1.979 122.172 120.200 -0.012 0.000 2.072 84 E HA 0.041 4.390 4.350 -0.002 0.000 0.190 84 E C 0.987 177.586 176.600 -0.003 0.000 0.982 84 E CA 0.810 57.206 56.400 -0.006 0.000 0.803 84 E CB 0.127 29.824 29.700 -0.006 0.000 0.755 84 E HN 0.788 nan 8.360 nan 0.000 0.453 85 A N 1.758 124.576 122.820 -0.002 0.000 2.899 85 A HA 0.301 4.619 4.320 -0.002 0.000 0.287 85 A C -0.240 177.345 177.584 0.002 0.000 1.715 85 A CA 0.403 52.440 52.037 0.001 0.000 1.393 85 A CB -0.644 18.358 19.000 0.004 0.000 1.070 85 A HN 0.167 nan 8.150 nan 0.000 0.587 86 I N 0.153 120.722 120.570 -0.001 0.000 3.095 86 I HA 0.447 4.616 4.170 -0.002 0.000 0.310 86 I C 0.508 176.623 176.117 -0.003 0.000 1.196 86 I CA -0.939 60.360 61.300 -0.002 0.000 0.985 86 I CB 2.256 40.253 38.000 -0.005 0.000 1.250 86 I HN 0.371 nan 8.210 nan 0.000 0.446 87 A N 1.818 124.634 122.820 -0.005 0.000 2.981 87 A HA 0.234 4.553 4.320 -0.002 0.000 0.280 87 A C 1.384 178.964 177.584 -0.007 0.000 1.743 87 A CA 0.227 52.260 52.037 -0.006 0.000 1.430 87 A CB -1.000 17.995 19.000 -0.007 0.000 1.085 87 A HN 0.910 nan 8.150 nan 0.000 0.597 88 T N -0.977 113.575 114.554 -0.004 0.000 2.802 88 T HA -0.228 4.120 4.350 -0.002 0.000 0.269 88 T C 1.041 175.739 174.700 -0.004 0.000 1.062 88 T CA 1.938 64.036 62.100 -0.002 0.000 1.133 88 T CB -0.381 68.489 68.868 0.003 0.000 0.852 88 T HN 0.539 nan 8.240 nan 0.000 0.485 89 D N 0.542 120.939 120.400 -0.005 0.000 2.144 89 D HA -0.007 4.632 4.640 -0.002 0.000 0.200 89 D C 1.962 178.255 176.300 -0.011 0.000 0.978 89 D CA 0.967 54.963 54.000 -0.006 0.000 0.833 89 D CB -0.345 40.452 40.800 -0.005 0.000 0.961 89 D HN 0.315 nan 8.370 nan 0.000 0.470 90 M N 0.696 120.289 119.600 -0.012 0.000 2.175 90 M HA -0.038 4.441 4.480 -0.002 0.000 0.264 90 M C 1.973 178.261 176.300 -0.020 0.000 1.063 90 M CA 0.996 56.285 55.300 -0.017 0.000 1.119 90 M CB -0.603 31.986 32.600 -0.018 0.000 1.377 90 M HN -0.057 nan 8.290 nan 0.000 0.415 91 L N -1.121 120.091 121.223 -0.018 0.000 2.012 91 L HA -0.253 4.086 4.340 -0.002 0.000 0.210 91 L C 2.371 179.229 176.870 -0.020 0.000 1.073 91 L CA 1.324 56.152 54.840 -0.020 0.000 0.748 91 L CB -0.772 41.278 42.059 -0.016 0.000 0.891 91 L HN 0.254 nan 8.230 nan 0.000 0.431 92 I N -0.531 120.031 120.570 -0.014 0.000 2.127 92 I HA -0.341 3.828 4.170 -0.002 0.000 0.241 92 I C 2.760 178.866 176.117 -0.018 0.000 1.075 92 I CA 1.310 62.602 61.300 -0.013 0.000 1.334 92 I CB -0.185 37.809 38.000 -0.009 0.000 1.040 92 I HN 0.294 nan 8.210 nan 0.000 0.405 93 Q N 0.841 120.631 119.800 -0.018 0.000 2.002 93 Q HA -0.211 4.128 4.340 -0.002 0.000 0.204 93 Q C 2.155 178.139 176.000 -0.026 0.000 0.988 93 Q CA 1.982 57.773 55.803 -0.020 0.000 0.843 93 Q CB -0.715 28.012 28.738 -0.019 0.000 0.908 93 Q HN 0.481 nan 8.270 nan 0.000 0.420 94 L N 0.318 121.524 121.223 -0.029 0.000 2.021 94 L HA -0.260 4.078 4.340 -0.002 0.000 0.215 94 L C 2.575 179.421 176.870 -0.040 0.000 1.074 94 L CA 2.067 56.884 54.840 -0.037 0.000 0.760 94 L CB -0.599 41.435 42.059 -0.041 0.000 0.889 94 L HN 0.451 nan 8.230 nan 0.000 0.433 95 E N 0.245 120.423 120.200 -0.036 0.000 2.085 95 E HA -0.309 4.040 4.350 -0.002 0.000 0.194 95 E C 2.070 178.650 176.600 -0.034 0.000 0.994 95 E CA 1.629 58.007 56.400 -0.037 0.000 0.801 95 E CB -0.008 29.675 29.700 -0.029 0.000 0.743 95 E HN 0.439 nan 8.360 nan 0.000 0.453 96 E N 0.198 120.381 120.200 -0.029 0.000 2.118 96 E HA -0.209 4.140 4.350 -0.002 0.000 0.195 96 E C 1.449 178.031 176.600 -0.029 0.000 0.992 96 E CA 1.355 57.740 56.400 -0.026 0.000 0.804 96 E CB 0.091 29.777 29.700 -0.022 0.000 0.741 96 E HN 0.341 nan 8.360 nan 0.000 0.458 97 E N -1.580 118.601 120.200 -0.033 0.000 2.511 97 E HA 0.027 4.376 4.350 -0.002 0.000 0.196 97 E C 0.925 177.500 176.600 -0.042 0.000 1.066 97 E CA 0.345 56.724 56.400 -0.036 0.000 0.871 97 E CB 0.488 30.166 29.700 -0.037 0.000 0.863 97 E HN 0.448 nan 8.360 nan 0.000 0.520 98 G N 0.311 109.084 108.800 -0.045 0.000 2.211 98 G HA2 -0.185 3.774 3.960 -0.002 0.000 0.201 98 G HA3 -0.185 3.774 3.960 -0.002 0.000 0.201 98 G C 0.116 174.976 174.900 -0.067 0.000 0.997 98 G CA -0.602 44.467 45.100 -0.052 0.000 0.652 98 G HN 0.087 nan 8.290 nan 0.000 0.500 99 L N 1.433 122.614 121.223 -0.070 0.000 2.456 99 L HA 0.305 4.644 4.340 -0.002 0.000 0.272 99 L C 0.496 177.313 176.870 -0.088 0.000 1.189 99 L CA -0.016 54.771 54.840 -0.087 0.000 0.846 99 L CB 0.804 42.817 42.059 -0.077 0.000 1.111 99 L HN 0.313 nan 8.230 nan 0.000 0.475 100 N N 2.822 121.449 118.700 -0.123 0.000 2.415 100 N HA 0.186 4.925 4.740 -0.002 0.000 0.246 100 N C -0.948 174.519 175.510 -0.073 0.000 1.078 100 N CA -0.211 52.772 53.050 -0.113 0.000 0.942 100 N CB 0.710 39.070 38.487 -0.212 0.000 1.140 100 N HN 0.252 nan 8.380 nan 0.000 0.501 101 V N 4.012 123.900 119.914 -0.044 0.000 2.394 101 V HA 0.317 4.436 4.120 -0.002 0.000 0.282 101 V C 0.077 176.155 176.094 -0.026 0.000 1.031 101 V CA -0.892 61.385 62.300 -0.039 0.000 0.881 101 V CB 1.587 33.392 31.823 -0.030 0.000 0.982 101 V HN 0.333 nan 8.190 nan 0.000 0.451 102 V N 8.574 128.452 119.914 -0.060 0.000 2.406 102 V HA 0.249 4.368 4.120 -0.002 0.000 0.272 102 V C -1.158 174.924 176.094 -0.020 0.000 1.043 102 V CA -0.969 61.293 62.300 -0.063 0.000 0.915 102 V CB 1.650 33.314 31.823 -0.266 0.000 0.988 102 V HN 0.800 nan 8.190 nan 0.000 0.466 103 P HA 0.051 nan 4.420 nan 0.000 0.221 103 P C 0.224 177.565 177.300 0.067 0.000 1.155 103 P CA 0.654 63.792 63.100 0.063 0.000 0.812 103 P CB 0.251 32.026 31.700 0.124 0.000 0.801 104 C N -4.415 114.917 119.300 0.053 0.000 3.302 104 C HA 0.785 5.244 4.460 -0.002 0.000 0.347 104 C C 1.688 176.694 174.990 0.027 0.000 1.218 104 C CA -0.288 58.750 59.018 0.033 0.000 1.234 104 C CB 0.730 28.489 27.740 0.032 0.000 1.551 104 C HN 0.169 nan 8.230 nan 0.000 0.501 105 A N 1.506 124.331 122.820 0.009 0.000 1.902 105 A HA -0.112 4.207 4.320 -0.002 0.000 0.217 105 A C 2.327 179.921 177.584 0.018 0.000 1.181 105 A CA 2.071 54.112 52.037 0.006 0.000 0.623 105 A CB -0.670 18.327 19.000 -0.005 0.000 0.818 105 A HN 1.130 nan 8.150 nan 0.000 0.443 106 R N -0.042 120.471 120.500 0.022 0.000 2.091 106 R HA -0.069 4.269 4.340 -0.002 0.000 0.238 106 R C 2.149 178.478 176.300 0.048 0.000 1.136 106 R CA 1.768 57.884 56.100 0.027 0.000 0.959 106 R CB -0.641 29.672 30.300 0.021 0.000 0.856 106 R HN 0.323 nan 8.270 nan 0.000 0.437 107 A N 0.836 123.700 122.820 0.072 0.000 1.948 107 A HA -0.220 4.098 4.320 -0.002 0.000 0.220 107 A C 2.397 180.035 177.584 0.089 0.000 1.177 107 A CA 2.268 54.375 52.037 0.117 0.000 0.636 107 A CB -1.261 17.857 19.000 0.197 0.000 0.815 107 A HN 0.751 nan 8.150 nan 0.000 0.449 108 T N -2.299 112.287 114.554 0.053 0.000 2.737 108 T HA -0.153 4.196 4.350 -0.002 0.000 0.265 108 T C 1.937 176.657 174.700 0.033 0.000 1.038 108 T CA 1.605 63.726 62.100 0.034 0.000 1.144 108 T CB -0.289 68.587 68.868 0.013 0.000 0.866 108 T HN 0.443 nan 8.240 nan 0.000 0.434 109 K N 0.693 121.110 120.400 0.029 0.000 1.978 109 K HA -0.025 4.294 4.320 -0.002 0.000 0.214 109 K C 2.475 179.097 176.600 0.035 0.000 1.049 109 K CA 1.533 57.835 56.287 0.025 0.000 0.939 109 K CB -0.604 31.907 32.500 0.018 0.000 0.721 109 K HN 0.359 nan 8.250 nan 0.000 0.441 110 L N 0.865 122.114 121.223 0.043 0.000 2.064 110 L HA -0.276 4.063 4.340 -0.002 0.000 0.216 110 L C 2.642 179.552 176.870 0.067 0.000 1.077 110 L CA 2.420 57.291 54.840 0.053 0.000 0.766 110 L CB -1.068 41.026 42.059 0.059 0.000 0.890 110 L HN 0.555 nan 8.230 nan 0.000 0.435 111 T N -4.256 110.344 114.554 0.077 0.000 3.023 111 T HA -0.177 4.172 4.350 -0.002 0.000 0.266 111 T C 1.798 176.532 174.700 0.057 0.000 1.093 111 T CA 0.614 62.765 62.100 0.084 0.000 1.129 111 T CB -0.119 68.812 68.868 0.105 0.000 0.899 111 T HN 0.197 nan 8.240 nan 0.000 0.491 112 M N 1.104 120.730 119.600 0.043 0.000 2.159 112 M HA 0.060 4.539 4.480 -0.002 0.000 0.263 112 M C 0.479 176.798 176.300 0.032 0.000 1.063 112 M CA 1.007 56.325 55.300 0.029 0.000 1.110 112 M CB -0.228 32.384 32.600 0.020 0.000 1.374 112 M HN 0.200 nan 8.290 nan 0.000 0.411 113 N N 0.751 119.477 118.700 0.042 0.000 2.426 113 N HA 0.089 4.828 4.740 -0.002 0.000 0.257 113 N C 0.294 175.848 175.510 0.073 0.000 1.002 113 N CA -0.092 52.990 53.050 0.053 0.000 0.942 113 N CB 0.691 39.207 38.487 0.047 0.000 1.112 113 N HN 0.118 nan 8.380 nan 0.000 0.499 114 R N 2.150 122.699 120.500 0.081 0.000 2.339 114 R HA -0.021 4.318 4.340 -0.002 0.000 0.199 114 R C 0.886 177.285 176.300 0.166 0.000 1.018 114 R CA 0.387 56.542 56.100 0.093 0.000 1.036 114 R CB 0.020 30.357 30.300 0.061 0.000 0.899 114 R HN 0.656 nan 8.270 nan 0.000 0.473 115 E N 1.234 121.546 120.200 0.187 0.000 2.011 115 E HA -0.061 4.288 4.350 -0.002 0.000 0.191 115 E C 2.092 178.750 176.600 0.096 0.000 0.980 115 E CA 0.985 57.514 56.400 0.215 0.000 0.814 115 E CB -0.264 29.494 29.700 0.096 0.000 0.775 115 E HN 0.322 nan 8.360 nan 0.000 0.454 116 G N 1.379 110.212 108.800 0.055 0.000 2.491 116 G HA2 -0.304 3.655 3.960 -0.002 0.000 0.218 116 G HA3 -0.304 3.655 3.960 -0.002 0.000 0.218 116 G C 1.553 176.489 174.900 0.060 0.000 1.180 116 G CA 1.083 46.206 45.100 0.037 0.000 0.774 116 G HN 0.313 nan 8.290 nan 0.000 0.562 117 I N 0.713 121.335 120.570 0.086 0.000 2.315 117 I HA -0.029 4.140 4.170 -0.002 0.000 0.248 117 I C 2.613 178.813 176.117 0.139 0.000 1.117 117 I CA 1.233 62.602 61.300 0.115 0.000 1.404 117 I CB -0.302 37.790 38.000 0.153 0.000 1.071 117 I HN 0.153 nan 8.210 nan 0.000 0.419 118 R N 0.623 121.201 120.500 0.129 0.000 2.075 118 R HA -0.088 4.251 4.340 -0.002 0.000 0.232 118 R C 2.361 178.718 176.300 0.095 0.000 1.126 118 R CA 1.595 57.748 56.100 0.088 0.000 0.963 118 R CB -0.386 29.885 30.300 -0.048 0.000 0.858 118 R HN 0.292 nan 8.270 nan 0.000 0.435 119 R N -0.024 120.552 120.500 0.127 0.000 2.070 119 R HA -0.114 4.225 4.340 -0.002 0.000 0.233 119 R C 2.254 178.594 176.300 0.067 0.000 1.137 119 R CA 1.612 57.785 56.100 0.121 0.000 0.945 119 R CB -0.871 29.464 30.300 0.059 0.000 0.845 119 R HN 0.227 nan 8.270 nan 0.000 0.430 120 L N 0.956 122.199 121.223 0.034 0.000 1.997 120 L HA -0.216 4.123 4.340 -0.002 0.000 0.216 120 L C 2.227 179.070 176.870 -0.046 0.000 1.074 120 L CA 2.370 57.206 54.840 -0.007 0.000 0.763 120 L CB -0.882 41.169 42.059 -0.014 0.000 0.890 120 L HN 0.175 nan 8.230 nan 0.000 0.434 121 A N -0.619 122.158 122.820 -0.071 0.000 1.902 121 A HA -0.011 4.307 4.320 -0.002 0.000 0.217 121 A C 2.407 179.941 177.584 -0.084 0.000 1.181 121 A CA 2.249 54.167 52.037 -0.198 0.000 0.623 121 A CB -1.223 17.610 19.000 -0.279 0.000 0.818 121 A HN 0.696 nan 8.150 nan 0.000 0.443 122 A N -0.356 122.481 122.820 0.027 0.000 1.850 122 A HA 0.011 4.330 4.320 -0.002 0.000 0.212 122 A C 1.934 179.568 177.584 0.084 0.000 1.208 122 A CA 1.340 53.430 52.037 0.089 0.000 0.609 122 A CB -0.453 18.657 19.000 0.184 0.000 0.860 122 A HN 0.573 nan 8.150 nan 0.000 0.448 123 E N -0.313 119.942 120.200 0.093 0.000 2.005 123 E HA -0.122 4.227 4.350 -0.002 0.000 0.191 123 E C 2.093 178.710 176.600 0.028 0.000 0.987 123 E CA 0.931 57.373 56.400 0.071 0.000 0.814 123 E CB -0.278 29.470 29.700 0.079 0.000 0.772 123 E HN 0.642 nan 8.360 nan 0.000 0.453 124 E N 0.875 121.083 120.200 0.013 0.000 2.005 124 E HA -0.196 4.153 4.350 -0.002 0.000 0.198 124 E C 2.172 178.755 176.600 -0.027 0.000 1.010 124 E CA 1.097 57.491 56.400 -0.010 0.000 0.825 124 E CB -0.109 29.580 29.700 -0.018 0.000 0.769 124 E HN 0.144 nan 8.360 nan 0.000 0.456 125 L N -0.067 121.125 121.223 -0.051 0.000 2.376 125 L HA -0.105 4.234 4.340 -0.002 0.000 0.219 125 L C 0.785 177.620 176.870 -0.058 0.000 1.133 125 L CA 0.258 55.053 54.840 -0.075 0.000 0.816 125 L CB 0.001 41.979 42.059 -0.135 0.000 0.933 125 L HN 0.297 nan 8.230 nan 0.000 0.449 126 Q N 0.254 120.035 119.800 -0.031 0.000 2.470 126 Q HA -0.172 4.167 4.340 -0.002 0.000 0.294 126 Q C -1.101 174.889 176.000 -0.016 0.000 1.356 126 Q CA 0.635 56.432 55.803 -0.010 0.000 0.805 126 Q CB -1.564 27.168 28.738 -0.010 0.000 1.157 126 Q HN 0.417 nan 8.270 nan 0.000 0.431 127 L N 0.355 121.561 121.223 -0.028 0.000 2.334 127 L HA 0.763 5.102 4.340 -0.002 0.000 0.270 127 L C -1.860 175.037 176.870 0.046 0.000 1.018 127 L CA -2.347 52.480 54.840 -0.022 0.000 0.811 127 L CB 1.046 43.044 42.059 -0.102 0.000 1.271 127 L HN 0.003 nan 8.230 nan 0.000 0.443 128 P HA 0.177 nan 4.420 nan 0.000 0.276 128 P C -0.639 176.754 177.300 0.155 0.000 1.243 128 P CA -0.142 63.020 63.100 0.103 0.000 0.768 128 P CB 0.958 32.709 31.700 0.084 0.000 0.856 129 T N -0.679 113.978 114.554 0.170 0.000 2.626 129 T HA 0.579 4.928 4.350 -0.002 0.000 0.279 129 T C 0.168 174.976 174.700 0.180 0.000 0.983 129 T CA -0.603 61.605 62.100 0.180 0.000 1.059 129 T CB 0.601 69.562 68.868 0.156 0.000 1.396 129 T HN 0.318 nan 8.240 nan 0.000 0.519 130 S N 0.638 116.437 115.700 0.165 0.000 2.624 130 S HA 0.535 5.003 4.470 -0.002 0.000 0.263 130 S C 0.590 175.341 174.600 0.252 0.000 1.287 130 S CA -0.217 58.085 58.200 0.170 0.000 0.990 130 S CB -0.030 63.253 63.200 0.139 0.000 0.950 130 S HN 1.231 nan 8.310 nan 0.000 0.561 131 T N -0.769 113.926 114.554 0.236 0.000 2.849 131 T HA 0.618 4.967 4.350 -0.002 0.000 0.284 131 T C -0.368 174.571 174.700 0.400 0.000 1.004 131 T CA -0.369 61.895 62.100 0.274 0.000 1.021 131 T CB 0.015 68.938 68.868 0.093 0.000 1.013 131 T HN 1.265 nan 8.240 nan 0.000 0.527 132 Y N -2.241 118.034 120.300 -0.042 0.000 3.035 132 Y HA 0.734 5.282 4.550 -0.004 0.000 0.388 132 Y C -0.915 174.900 175.900 -0.142 0.000 1.268 132 Y CA -1.775 56.245 58.100 -0.134 0.000 1.128 132 Y CB 0.634 38.966 38.460 -0.213 0.000 1.820 132 Y HN 0.907 nan 8.280 nan 0.000 0.432 133 R N -0.475 119.822 120.500 -0.337 0.000 2.944 133 R HA 0.660 4.999 4.340 -0.002 0.000 0.270 133 R C -2.515 173.499 176.300 -0.476 0.000 0.989 133 R CA -0.869 55.066 56.100 -0.274 0.000 0.853 133 R CB 1.320 31.561 30.300 -0.099 0.000 1.430 133 R HN 0.618 nan 8.270 nan 0.000 0.450 134 F N 0.729 120.731 119.950 0.087 0.000 2.553 134 F HA 0.701 5.223 4.527 -0.008 0.000 0.335 134 F C -0.065 175.800 175.800 0.109 0.000 1.148 134 F CA -0.722 57.347 58.000 0.115 0.000 0.963 134 F CB 2.190 41.258 39.000 0.113 0.000 1.217 134 F HN 0.513 nan 8.300 nan 0.000 0.441 135 A N 1.744 124.716 122.820 0.254 0.000 2.306 135 A HA 0.655 4.974 4.320 -0.002 0.000 0.330 135 A C 0.076 177.832 177.584 0.287 0.000 1.146 135 A CA -0.526 51.657 52.037 0.244 0.000 0.827 135 A CB 0.664 19.827 19.000 0.272 0.000 1.178 135 A HN 0.747 nan 8.150 nan 0.000 0.490 136 D N -0.386 120.161 120.400 0.246 0.000 2.539 136 D HA 0.153 4.792 4.640 -0.002 0.000 0.232 136 D C -0.055 176.404 176.300 0.266 0.000 1.256 136 D CA 0.608 54.767 54.000 0.264 0.000 0.810 136 D CB -0.173 40.730 40.800 0.172 0.000 1.090 136 D HN 0.513 nan 8.370 nan 0.000 0.519 137 S N -0.911 114.829 115.700 0.067 0.000 2.570 137 S HA 0.308 4.777 4.470 -0.002 0.000 0.270 137 S C 0.631 174.652 174.600 -0.965 0.000 1.149 137 S CA -0.723 57.276 58.200 -0.335 0.000 0.837 137 S CB 2.831 65.933 63.200 -0.164 0.000 1.124 137 S HN -0.117 nan 8.310 nan 0.000 0.465 138 E N 1.499 120.909 120.200 -1.317 0.000 2.160 138 E HA -0.177 4.172 4.350 -0.002 0.000 0.195 138 E C 1.844 178.178 176.600 -0.444 0.000 0.991 138 E CA 2.064 57.811 56.400 -1.089 0.000 0.810 138 E CB -0.223 29.017 29.700 -0.767 0.000 0.742 138 E HN 0.694 nan 8.360 nan 0.000 0.466 139 S N -0.644 114.854 115.700 -0.335 0.000 2.362 139 S HA -0.073 4.395 4.470 -0.002 0.000 0.221 139 S C 1.914 176.431 174.600 -0.139 0.000 1.032 139 S CA 0.618 58.706 58.200 -0.188 0.000 0.973 139 S CB -0.266 62.853 63.200 -0.134 0.000 0.849 139 S HN 0.256 nan 8.310 nan 0.000 0.465 140 L N 1.187 122.332 121.223 -0.130 0.000 2.012 140 L HA 0.052 4.391 4.340 -0.002 0.000 0.210 140 L C 2.323 179.211 176.870 0.030 0.000 1.073 140 L CA 1.662 56.483 54.840 -0.031 0.000 0.748 140 L CB -1.990 40.085 42.059 0.025 0.000 0.891 140 L HN 0.458 nan 8.230 nan 0.000 0.431 141 F N 1.054 120.922 119.950 -0.137 0.000 2.025 141 F HA -0.292 4.238 4.527 0.005 0.000 0.297 141 F C 2.746 178.535 175.800 -0.019 0.000 1.132 141 F CA 1.890 59.890 58.000 0.000 0.000 1.191 141 F CB -0.758 38.328 39.000 0.142 0.000 0.963 141 F HN -0.035 nan 8.300 nan 0.000 0.481 142 R N 0.641 120.997 120.500 -0.240 0.000 2.122 142 R HA -0.269 4.070 4.340 -0.002 0.000 0.236 142 R C 2.390 178.558 176.300 -0.221 0.000 1.129 142 R CA 2.368 58.250 56.100 -0.364 0.000 0.925 142 R CB -0.901 29.249 30.300 -0.250 0.000 0.850 142 R HN 0.618 nan 8.270 nan 0.000 0.431 143 E N -0.078 120.045 120.200 -0.127 0.000 2.097 143 E HA -0.241 4.108 4.350 -0.002 0.000 0.196 143 E C 1.758 178.314 176.600 -0.073 0.000 1.000 143 E CA 1.876 58.225 56.400 -0.085 0.000 0.804 143 E CB -0.613 29.052 29.700 -0.057 0.000 0.740 143 E HN 0.368 nan 8.360 nan 0.000 0.454 144 A N 1.100 123.898 122.820 -0.038 0.000 1.845 144 A HA -0.129 4.190 4.320 -0.002 0.000 0.215 144 A C 2.618 180.162 177.584 -0.067 0.000 1.195 144 A CA 1.946 53.972 52.037 -0.018 0.000 0.616 144 A CB -1.072 17.965 19.000 0.061 0.000 0.832 144 A HN 0.223 nan 8.150 nan 0.000 0.443 145 V N 0.057 119.918 119.914 -0.088 0.000 2.660 145 V HA -0.278 3.841 4.120 -0.002 0.000 0.257 145 V C 2.840 178.767 176.094 -0.279 0.000 1.088 145 V CA 1.897 64.089 62.300 -0.180 0.000 1.106 145 V CB -1.451 30.231 31.823 -0.235 0.000 0.686 145 V HN 0.628 nan 8.190 nan 0.000 0.481 146 A N -0.346 122.347 122.820 -0.212 0.000 1.970 146 A HA -0.154 4.165 4.320 -0.002 0.000 0.216 146 A C 1.966 179.465 177.584 -0.141 0.000 1.170 146 A CA 1.585 53.514 52.037 -0.181 0.000 0.645 146 A CB -0.411 18.514 19.000 -0.125 0.000 0.816 146 A HN 0.491 nan 8.150 nan 0.000 0.447 147 D N -0.422 119.909 120.400 -0.115 0.000 2.234 147 D HA -0.031 4.607 4.640 -0.002 0.000 0.205 147 D C 1.722 177.963 176.300 -0.098 0.000 0.962 147 D CA 0.615 54.561 54.000 -0.090 0.000 0.855 147 D CB 0.044 40.801 40.800 -0.071 0.000 0.951 147 D HN 0.324 nan 8.370 nan 0.000 0.500 148 I N -0.187 120.309 120.570 -0.124 0.000 2.270 148 I HA 0.188 4.357 4.170 -0.002 0.000 0.239 148 I C 1.568 177.594 176.117 -0.152 0.000 1.080 148 I CA 1.059 62.287 61.300 -0.121 0.000 1.383 148 I CB -1.351 36.581 38.000 -0.115 0.000 1.097 148 I HN 0.070 nan 8.210 nan 0.000 0.420 149 G N -0.166 108.476 108.800 -0.263 0.000 2.710 149 G HA2 -0.209 3.750 3.960 -0.002 0.000 0.668 149 G HA3 -0.209 3.750 3.960 -0.002 0.000 0.668 149 G C -0.937 173.716 174.900 -0.411 0.000 1.320 149 G CA -0.703 44.191 45.100 -0.342 0.000 0.860 149 G HN 0.176 nan 8.290 nan 0.000 0.538 150 Y N 1.062 121.342 120.300 -0.033 0.000 2.299 150 Y HA 0.552 5.101 4.550 -0.002 0.000 0.326 150 Y C -0.730 175.159 175.900 -0.018 0.000 1.164 150 Y CA -0.830 57.251 58.100 -0.031 0.000 1.234 150 Y CB 0.678 39.136 38.460 -0.003 0.000 1.219 150 Y HN 0.620 nan 8.280 nan 0.000 0.497 151 P HA 0.654 nan 4.420 nan 0.000 0.314 151 P C -1.008 176.176 177.300 -0.194 0.000 1.306 151 P CA -0.606 62.530 63.100 0.061 0.000 0.782 151 P CB 1.272 33.045 31.700 0.121 0.000 1.337 152 C N -3.029 116.016 119.300 -0.424 0.000 3.249 152 C HA 0.773 5.232 4.460 -0.002 0.000 0.350 152 C C -1.464 173.268 174.990 -0.429 0.000 1.431 152 C CA -0.760 58.047 59.018 -0.352 0.000 1.209 152 C CB -0.057 27.555 27.740 -0.212 0.000 1.546 152 C HN 0.386 nan 8.230 nan 0.000 0.450 153 I N 0.768 121.212 120.570 -0.211 0.000 2.569 153 I HA 0.687 4.856 4.170 -0.002 0.000 0.296 153 I C -0.344 175.756 176.117 -0.028 0.000 1.028 153 I CA -0.633 60.596 61.300 -0.119 0.000 1.082 153 I CB 1.874 39.843 38.000 -0.052 0.000 1.264 153 I HN 0.643 nan 8.210 nan 0.000 0.429 154 V N 6.223 126.138 119.914 0.002 0.000 2.376 154 V HA 0.509 4.628 4.120 -0.002 0.000 0.287 154 V C -0.705 175.346 176.094 -0.072 0.000 1.015 154 V CA -0.600 61.684 62.300 -0.028 0.000 0.834 154 V CB 1.223 33.022 31.823 -0.041 0.000 1.001 154 V HN 0.747 nan 8.190 nan 0.000 0.428 155 K N 6.322 126.667 120.400 -0.091 0.000 2.397 155 K HA 0.652 4.970 4.320 -0.002 0.000 0.253 155 K C -3.090 173.433 176.600 -0.129 0.000 0.932 155 K CA -2.139 54.087 56.287 -0.103 0.000 0.795 155 K CB 2.250 34.719 32.500 -0.052 0.000 1.159 155 K HN 0.221 nan 8.250 nan 0.000 0.424 156 P HA -0.071 nan 4.420 nan 0.000 0.268 156 P C 0.976 178.230 177.300 -0.077 0.000 1.204 156 P CA -0.481 62.523 63.100 -0.161 0.000 0.768 156 P CB 0.582 32.164 31.700 -0.197 0.000 0.842 157 V N -0.339 119.557 119.914 -0.029 0.000 3.488 157 V HA 0.004 4.123 4.120 -0.002 0.000 0.273 157 V C 0.818 176.916 176.094 0.007 0.000 1.209 157 V CA 1.379 63.695 62.300 0.026 0.000 1.179 157 V CB -1.255 30.623 31.823 0.091 0.000 0.842 157 V HN 0.430 nan 8.190 nan 0.000 0.515 158 M N 0.983 120.565 119.600 -0.030 0.000 3.404 158 M HA 0.401 4.880 4.480 -0.002 0.000 0.398 158 M C -0.034 176.232 176.300 -0.056 0.000 1.599 158 M CA 0.309 55.589 55.300 -0.033 0.000 0.696 158 M CB 1.024 33.607 32.600 -0.028 0.000 1.427 158 M HN 0.418 nan 8.290 nan 0.000 0.502 159 S N 0.755 116.420 115.700 -0.058 0.000 2.607 159 S HA 0.832 5.301 4.470 -0.002 0.000 0.303 159 S C -0.482 174.096 174.600 -0.038 0.000 1.086 159 S CA -0.333 57.825 58.200 -0.069 0.000 0.995 159 S CB 2.389 65.530 63.200 -0.099 0.000 1.084 159 S HN 0.472 nan 8.310 nan 0.000 0.507 160 S N 1.245 116.926 115.700 -0.032 0.000 2.543 160 S HA 0.551 5.020 4.470 -0.002 0.000 0.274 160 S C -0.187 174.414 174.600 0.000 0.000 1.149 160 S CA 0.322 58.515 58.200 -0.013 0.000 0.866 160 S CB 0.821 64.013 63.200 -0.014 0.000 1.111 160 S HN 1.654 nan 8.310 nan 0.000 0.457 161 S N 1.705 117.413 115.700 0.014 0.000 3.445 161 S HA -0.145 4.324 4.470 -0.002 0.000 0.319 161 S C 1.188 175.820 174.600 0.054 0.000 1.209 161 S CA 1.789 60.009 58.200 0.034 0.000 0.934 161 S CB -1.722 61.496 63.200 0.030 0.000 0.999 161 S HN 2.574 nan 8.310 nan 0.000 0.582 162 G N 0.081 108.911 108.800 0.050 0.000 2.155 162 G HA2 -0.337 3.621 3.960 -0.002 0.000 0.257 162 G HA3 -0.337 3.621 3.960 -0.002 0.000 0.257 162 G C -0.095 174.832 174.900 0.045 0.000 0.983 162 G CA 0.718 45.859 45.100 0.068 0.000 0.676 162 G HN 0.691 nan 8.290 nan 0.000 0.528 163 K N 0.544 120.941 120.400 -0.005 0.000 2.250 163 K HA 0.418 4.737 4.320 -0.002 0.000 0.277 163 K C 1.506 177.957 176.600 -0.249 0.000 1.091 163 K CA 1.373 57.624 56.287 -0.059 0.000 1.046 163 K CB -0.476 31.991 32.500 -0.055 0.000 0.982 163 K HN 1.398 nan 8.250 nan 0.000 0.429 164 G N 2.246 110.693 108.800 -0.589 0.000 2.144 164 G HA2 -0.267 3.692 3.960 -0.002 0.000 0.218 164 G HA3 -0.267 3.692 3.960 -0.002 0.000 0.218 164 G C -0.042 174.470 174.900 -0.646 0.000 0.988 164 G CA -0.330 44.125 45.100 -1.074 0.000 0.659 164 G HN 0.561 nan 8.290 nan 0.000 0.522 165 Q N -0.073 119.606 119.800 -0.202 0.000 2.205 165 Q HA 0.723 5.062 4.340 -0.002 0.000 0.249 165 Q C -0.466 175.672 176.000 0.231 0.000 0.948 165 Q CA -0.034 55.784 55.803 0.025 0.000 0.895 165 Q CB 1.251 30.037 28.738 0.079 0.000 1.249 165 Q HN 0.195 nan 8.270 nan 0.000 0.458 166 T N 1.867 116.527 114.554 0.177 0.000 3.109 166 T HA 0.253 4.602 4.350 -0.002 0.000 0.311 166 T C -1.553 173.275 174.700 0.214 0.000 1.011 166 T CA -0.499 61.741 62.100 0.234 0.000 1.026 166 T CB 0.378 69.391 68.868 0.242 0.000 1.047 166 T HN 0.409 nan 8.240 nan 0.000 0.448 167 F N 4.695 124.726 119.950 0.135 0.000 2.405 167 F HA 0.550 5.075 4.527 -0.002 0.000 0.358 167 F C -0.560 175.328 175.800 0.148 0.000 1.151 167 F CA -1.203 56.871 58.000 0.123 0.000 1.161 167 F CB -0.120 38.936 39.000 0.092 0.000 1.245 167 F HN 0.417 nan 8.300 nan 0.000 0.545 168 I N 7.265 127.807 120.570 -0.047 0.000 2.304 168 I HA 0.334 4.503 4.170 -0.002 0.000 0.291 168 I C 0.834 177.120 176.117 0.280 0.000 1.018 168 I CA 0.124 61.535 61.300 0.185 0.000 1.260 168 I CB 1.378 39.537 38.000 0.264 0.000 1.390 168 I HN 0.567 nan 8.210 nan 0.000 0.475 169 R N 2.693 123.391 120.500 0.332 0.000 2.279 169 R HA 0.204 4.543 4.340 -0.002 0.000 0.195 169 R C 0.250 176.324 176.300 -0.378 0.000 0.905 169 R CA 0.208 56.435 56.100 0.212 0.000 1.044 169 R CB 0.457 30.880 30.300 0.205 0.000 1.056 169 R HN 0.715 nan 8.270 nan 0.000 0.535 170 S N -1.359 114.168 115.700 -0.289 0.000 2.570 170 S HA 0.562 5.031 4.470 -0.002 0.000 0.286 170 S C 0.576 175.086 174.600 -0.151 0.000 1.099 170 S CA -0.498 57.394 58.200 -0.513 0.000 0.913 170 S CB 2.204 65.250 63.200 -0.256 0.000 1.085 170 S HN 0.057 nan 8.310 nan 0.000 0.480 171 A N 1.672 124.387 122.820 -0.175 0.000 1.933 171 A HA -0.017 4.302 4.320 -0.002 0.000 0.218 171 A C 1.796 179.409 177.584 0.049 0.000 1.175 171 A CA 1.859 53.942 52.037 0.076 0.000 0.628 171 A CB -1.202 17.832 19.000 0.057 0.000 0.814 171 A HN 0.947 nan 8.150 nan 0.000 0.444 172 E N -0.000 120.205 120.200 0.009 0.000 2.086 172 E HA -0.291 4.058 4.350 -0.002 0.000 0.200 172 E C 2.146 178.791 176.600 0.075 0.000 1.012 172 E CA 2.014 58.432 56.400 0.030 0.000 0.812 172 E CB -0.343 29.363 29.700 0.009 0.000 0.743 172 E HN 0.770 nan 8.360 nan 0.000 0.453 173 Q N 0.331 120.191 119.800 0.101 0.000 2.062 173 Q HA -0.213 4.126 4.340 -0.002 0.000 0.209 173 Q C 2.260 178.394 176.000 0.223 0.000 0.996 173 Q CA 1.902 57.800 55.803 0.159 0.000 0.859 173 Q CB -0.528 28.329 28.738 0.197 0.000 0.920 173 Q HN 0.340 nan 8.270 nan 0.000 0.415 174 L N 0.098 121.460 121.223 0.233 0.000 2.256 174 L HA -0.344 3.994 4.340 -0.002 0.000 0.218 174 L C 2.335 179.418 176.870 0.355 0.000 1.089 174 L CA 1.214 56.224 54.840 0.282 0.000 0.777 174 L CB -1.368 40.609 42.059 -0.137 0.000 0.890 174 L HN 0.258 nan 8.230 nan 0.000 0.439 175 A N -0.077 122.878 122.820 0.225 0.000 1.845 175 A HA -0.226 4.093 4.320 -0.002 0.000 0.215 175 A C 2.266 180.009 177.584 0.264 0.000 1.195 175 A CA 1.706 53.868 52.037 0.210 0.000 0.616 175 A CB -0.553 18.526 19.000 0.132 0.000 0.832 175 A HN 0.476 nan 8.150 nan 0.000 0.443 176 Q N -0.727 119.206 119.800 0.221 0.000 1.935 176 Q HA -0.216 4.123 4.340 -0.002 0.000 0.212 176 Q C 2.488 178.635 176.000 0.245 0.000 1.008 176 Q CA 1.871 57.789 55.803 0.193 0.000 0.868 176 Q CB -0.509 28.322 28.738 0.154 0.000 0.946 176 Q HN 0.655 nan 8.270 nan 0.000 0.418 177 A N 1.163 124.165 122.820 0.303 0.000 1.881 177 A HA -0.268 4.051 4.320 -0.002 0.000 0.219 177 A C 1.815 179.430 177.584 0.051 0.000 1.215 177 A CA 1.884 54.073 52.037 0.254 0.000 0.648 177 A CB -1.664 17.595 19.000 0.431 0.000 0.832 177 A HN 0.829 nan 8.150 nan 0.000 0.455 178 W N 0.744 122.096 121.300 0.085 0.000 2.342 178 W HA -0.189 4.473 4.660 0.003 0.000 0.297 178 W C 2.047 178.551 176.519 -0.025 0.000 1.213 178 W CA 2.226 59.496 57.345 -0.125 0.000 1.251 178 W CB -0.232 29.414 29.460 0.310 0.000 1.136 178 W HN 0.448 nan 8.180 nan 0.000 0.526 179 K N -0.211 120.241 120.400 0.088 0.000 1.985 179 K HA -0.286 4.032 4.320 -0.002 0.000 0.210 179 K C 2.262 178.837 176.600 -0.042 0.000 1.047 179 K CA 1.880 58.185 56.287 0.029 0.000 0.932 179 K CB -1.237 31.350 32.500 0.144 0.000 0.716 179 K HN 0.170 nan 8.250 nan 0.000 0.439 180 Y N 0.703 120.936 120.300 -0.113 0.000 2.151 180 Y HA -0.320 4.234 4.550 0.006 0.000 0.284 180 Y C 1.961 177.740 175.900 -0.203 0.000 1.166 180 Y CA 1.217 59.248 58.100 -0.115 0.000 1.163 180 Y CB -0.110 38.316 38.460 -0.057 0.000 0.974 180 Y HN 0.244 nan 8.280 nan 0.000 0.511 181 A N -0.443 122.138 122.820 -0.397 0.000 2.131 181 A HA -0.255 4.064 4.320 -0.002 0.000 0.220 181 A C 1.814 179.070 177.584 -0.546 0.000 1.158 181 A CA 1.973 53.664 52.037 -0.576 0.000 0.665 181 A CB -0.442 18.125 19.000 -0.722 0.000 0.795 181 A HN 0.594 nan 8.150 nan 0.000 0.460 182 Q N -1.691 117.829 119.800 -0.467 0.000 2.392 182 Q HA 0.113 4.452 4.340 -0.002 0.000 0.219 182 Q C 1.984 177.870 176.000 -0.190 0.000 0.895 182 Q CA 0.836 56.438 55.803 -0.334 0.000 0.929 182 Q CB -0.096 28.445 28.738 -0.329 0.000 1.077 182 Q HN 0.786 nan 8.270 nan 0.000 0.532 183 Q N -0.148 119.569 119.800 -0.137 0.000 2.014 183 Q HA -0.091 4.247 4.340 -0.002 0.000 0.207 183 Q C 0.685 176.630 176.000 -0.092 0.000 0.993 183 Q CA 1.490 57.278 55.803 -0.025 0.000 0.850 183 Q CB -0.322 28.542 28.738 0.210 0.000 0.916 183 Q HN 0.380 nan 8.270 nan 0.000 0.417 184 G N -1.816 106.842 108.800 -0.238 0.000 2.543 184 G HA2 0.444 4.403 3.960 -0.002 0.000 0.290 184 G HA3 0.444 4.403 3.960 -0.002 0.000 0.290 184 G C 0.189 174.976 174.900 -0.189 0.000 1.310 184 G CA -0.165 44.801 45.100 -0.224 0.000 1.025 184 G HN 0.658 nan 8.290 nan 0.000 0.502 185 G N 0.009 108.721 108.800 -0.147 0.000 2.527 185 G HA2 -0.310 3.649 3.960 -0.002 0.000 0.268 185 G HA3 -0.310 3.649 3.960 -0.002 0.000 0.268 185 G C 1.429 176.281 174.900 -0.079 0.000 1.175 185 G CA 1.383 46.416 45.100 -0.112 0.000 0.962 185 G HN 1.155 nan 8.290 nan 0.000 0.560 186 R N 0.476 120.935 120.500 -0.069 0.000 2.070 186 R HA 0.354 4.692 4.340 -0.002 0.000 0.232 186 R C 1.500 177.771 176.300 -0.048 0.000 1.138 186 R CA 2.239 58.311 56.100 -0.047 0.000 0.936 186 R CB -0.893 29.383 30.300 -0.039 0.000 0.839 186 R HN 2.716 nan 8.270 nan 0.000 0.429 191 R N -1.216 119.253 120.500 -0.051 0.000 2.668 191 R HA 0.800 5.139 4.340 -0.002 0.000 0.272 191 R C -0.794 175.495 176.300 -0.019 0.000 1.019 191 R CA -0.109 56.017 56.100 0.043 0.000 0.894 191 R CB 1.956 32.322 30.300 0.109 0.000 1.228 191 R HN 1.616 nan 8.270 nan 0.000 0.460 192 V N 1.074 121.016 119.914 0.047 0.000 3.164 192 V HA 0.838 4.957 4.120 -0.002 0.000 0.313 192 V C -0.934 175.201 176.094 0.068 0.000 1.188 192 V CA -0.814 61.483 62.300 -0.005 0.000 1.058 192 V CB 1.850 33.607 31.823 -0.110 0.000 1.110 192 V HN 0.935 nan 8.190 nan 0.000 0.453 193 I N 0.416 120.973 120.570 -0.021 0.000 2.607 193 I HA 0.773 4.941 4.170 -0.002 0.000 0.290 193 I C -1.503 174.558 176.117 -0.093 0.000 1.129 193 I CA -0.500 60.724 61.300 -0.126 0.000 1.042 193 I CB 2.115 40.017 38.000 -0.165 0.000 1.242 193 I HN 0.576 nan 8.210 nan 0.000 0.421 194 V N 6.933 126.787 119.914 -0.100 0.000 2.409 194 V HA 0.499 4.618 4.120 -0.002 0.000 0.291 194 V C -0.328 175.749 176.094 -0.028 0.000 1.020 194 V CA -0.435 61.850 62.300 -0.024 0.000 0.848 194 V CB 1.501 33.351 31.823 0.045 0.000 0.990 194 V HN 0.746 nan 8.190 nan 0.000 0.430 195 E N 2.725 122.913 120.200 -0.019 0.000 2.195 195 E HA 0.621 4.970 4.350 -0.002 0.000 0.271 195 E C 0.081 176.667 176.600 -0.024 0.000 0.923 195 E CA -0.636 55.770 56.400 0.010 0.000 0.790 195 E CB 2.249 31.955 29.700 0.010 0.000 1.155 195 E HN 0.798 nan 8.360 nan 0.000 0.402 196 G N 1.769 110.575 108.800 0.009 0.000 2.655 196 G HA2 0.298 4.256 3.960 -0.002 0.000 0.334 196 G HA3 0.298 4.256 3.960 -0.002 0.000 0.334 196 G C -0.036 174.863 174.900 -0.001 0.000 1.099 196 G CA -0.400 44.689 45.100 -0.019 0.000 1.075 196 G HN 0.322 nan 8.290 nan 0.000 0.463 197 V N 2.308 122.202 119.914 -0.034 0.000 2.752 197 V HA -0.087 4.032 4.120 -0.002 0.000 0.306 197 V C 0.720 176.806 176.094 -0.015 0.000 1.099 197 V CA 0.358 62.644 62.300 -0.024 0.000 1.240 197 V CB 1.017 32.833 31.823 -0.012 0.000 0.887 197 V HN 0.467 nan 8.190 nan 0.000 0.499 198 V N 5.411 125.303 119.914 -0.037 0.000 2.385 198 V HA 0.310 4.429 4.120 -0.002 0.000 0.269 198 V C 0.210 176.239 176.094 -0.110 0.000 1.043 198 V CA -0.812 61.463 62.300 -0.041 0.000 0.906 198 V CB 1.102 32.873 31.823 -0.088 0.000 0.995 198 V HN 0.761 nan 8.190 nan 0.000 0.467 199 K N 6.622 126.963 120.400 -0.098 0.000 2.296 199 K HA 0.413 4.732 4.320 -0.002 0.000 0.257 199 K C -0.641 175.876 176.600 -0.138 0.000 1.088 199 K CA -0.527 55.634 56.287 -0.210 0.000 0.980 199 K CB -0.143 32.270 32.500 -0.144 0.000 1.430 199 K HN 0.534 nan 8.250 nan 0.000 0.441 200 F N 0.219 120.093 119.950 -0.127 0.000 2.377 200 F HA 0.443 4.969 4.527 -0.003 0.000 0.328 200 F C 0.837 176.584 175.800 -0.089 0.000 1.094 200 F CA -0.879 57.054 58.000 -0.112 0.000 1.093 200 F CB 0.914 39.857 39.000 -0.095 0.000 1.214 200 F HN 0.255 nan 8.300 nan 0.000 0.518 201 D N 1.244 121.693 120.400 0.081 0.000 2.097 201 D HA 0.014 4.653 4.640 -0.002 0.000 0.197 201 D C -0.157 176.317 176.300 0.291 0.000 0.984 201 D CA 2.130 56.159 54.000 0.048 0.000 0.826 201 D CB -0.041 40.668 40.800 -0.153 0.000 0.973 201 D HN 0.524 nan 8.370 nan 0.000 0.460 202 F N -2.304 117.916 119.950 0.450 0.000 2.770 202 F HA 0.487 5.013 4.527 -0.002 0.000 0.313 202 F C -0.888 174.991 175.800 0.131 0.000 1.154 202 F CA -1.248 56.986 58.000 0.391 0.000 0.923 202 F CB 1.306 40.453 39.000 0.245 0.000 1.301 202 F HN -0.409 nan 8.300 nan 0.000 0.449 203 E N 2.027 122.344 120.200 0.195 0.000 2.202 203 E HA 0.741 5.090 4.350 -0.002 0.000 0.272 203 E C -1.186 175.320 176.600 -0.156 0.000 0.951 203 E CA -1.131 55.146 56.400 -0.205 0.000 0.813 203 E CB 2.638 32.086 29.700 -0.420 0.000 1.151 203 E HN 0.698 nan 8.360 nan 0.000 0.398 204 I N -1.307 119.164 120.570 -0.164 0.000 2.969 204 I HA 0.543 4.712 4.170 -0.002 0.000 0.307 204 I C -0.920 175.122 176.117 -0.124 0.000 1.149 204 I CA -0.727 60.500 61.300 -0.122 0.000 1.008 204 I CB 2.536 40.525 38.000 -0.019 0.000 1.232 204 I HN 0.214 nan 8.210 nan 0.000 0.435 205 T N 5.237 119.726 114.554 -0.107 0.000 2.770 205 T HA 0.496 4.845 4.350 -0.002 0.000 0.283 205 T C -0.661 173.946 174.700 -0.155 0.000 0.988 205 T CA -0.250 61.728 62.100 -0.204 0.000 0.957 205 T CB 1.337 69.995 68.868 -0.350 0.000 0.930 205 T HN 0.468 nan 8.240 nan 0.000 0.443 206 L N 5.513 126.660 121.223 -0.127 0.000 2.297 206 L HA 0.482 4.821 4.340 -0.002 0.000 0.277 206 L C -0.769 176.103 176.870 0.002 0.000 1.040 206 L CA -0.457 54.355 54.840 -0.047 0.000 0.867 206 L CB 0.018 42.052 42.059 -0.042 0.000 1.244 206 L HN 0.594 nan 8.230 nan 0.000 0.433 207 L N 4.829 126.047 121.223 -0.008 0.000 2.385 207 L HA 0.334 4.673 4.340 -0.002 0.000 0.281 207 L C 0.082 177.010 176.870 0.097 0.000 1.106 207 L CA 0.100 54.942 54.840 0.004 0.000 0.856 207 L CB 0.171 42.192 42.059 -0.063 0.000 1.186 207 L HN 0.534 nan 8.230 nan 0.000 0.453 208 T N 2.878 117.515 114.554 0.138 0.000 2.791 208 T HA 0.349 4.698 4.350 -0.002 0.000 0.288 208 T C -0.371 174.406 174.700 0.128 0.000 0.999 208 T CA -0.400 61.781 62.100 0.135 0.000 0.952 208 T CB 2.116 71.103 68.868 0.199 0.000 0.938 208 T HN 0.261 nan 8.240 nan 0.000 0.444 209 V N 3.386 123.310 119.914 0.017 0.000 2.427 209 V HA 0.696 4.815 4.120 -0.002 0.000 0.286 209 V C -0.178 175.945 176.094 0.048 0.000 1.034 209 V CA -0.351 62.001 62.300 0.086 0.000 0.893 209 V CB 1.762 33.607 31.823 0.036 0.000 0.982 209 V HN 0.873 nan 8.190 nan 0.000 0.452 210 S N 5.635 121.447 115.700 0.186 0.000 2.448 210 S HA 0.863 5.332 4.470 -0.002 0.000 0.320 210 S C -0.201 174.485 174.600 0.143 0.000 1.071 210 S CA 0.253 58.553 58.200 0.166 0.000 1.113 210 S CB 0.730 64.094 63.200 0.274 0.000 0.972 210 S HN 1.372 nan 8.310 nan 0.000 0.465 211 A N 3.711 126.480 122.820 -0.085 0.000 2.507 211 A HA 0.703 5.022 4.320 -0.002 0.000 0.284 211 A C 0.985 178.162 177.584 -0.679 0.000 1.281 211 A CA -0.333 51.369 52.037 -0.559 0.000 0.744 211 A CB 0.223 19.029 19.000 -0.324 0.000 1.332 211 A HN 0.979 nan 8.150 nan 0.000 0.454 212 V N 0.762 120.169 119.914 -0.845 0.000 2.380 212 V HA -0.168 3.951 4.120 -0.002 0.000 0.251 212 V C 1.326 177.357 176.094 -0.104 0.000 1.063 212 V CA 3.046 65.135 62.300 -0.352 0.000 1.055 212 V CB -0.688 31.003 31.823 -0.220 0.000 0.657 212 V HN 0.918 nan 8.190 nan 0.000 0.455 213 D N -1.396 118.944 120.400 -0.098 0.000 2.370 213 D HA 0.373 5.012 4.640 -0.002 0.000 0.230 213 D C 0.784 177.098 176.300 0.022 0.000 1.143 213 D CA 0.800 54.795 54.000 -0.010 0.000 0.834 213 D CB -0.041 40.764 40.800 0.008 0.000 0.944 213 D HN 0.708 nan 8.370 nan 0.000 0.504 214 G N -0.734 108.055 108.800 -0.018 0.000 2.587 214 G HA2 -0.148 3.811 3.960 -0.002 0.000 0.212 214 G HA3 -0.148 3.811 3.960 -0.002 0.000 0.212 214 G C -0.975 173.852 174.900 -0.123 0.000 1.327 214 G CA -0.368 44.693 45.100 -0.065 0.000 0.898 214 G HN 0.308 nan 8.290 nan 0.000 0.551 215 V N 1.451 121.197 119.914 -0.279 0.000 2.394 215 V HA 0.675 4.793 4.120 -0.002 0.000 0.282 215 V C 0.148 175.761 176.094 -0.802 0.000 1.031 215 V CA -0.273 61.779 62.300 -0.415 0.000 0.881 215 V CB 1.252 32.850 31.823 -0.376 0.000 0.982 215 V HN 0.818 nan 8.190 nan 0.000 0.451 216 H N 3.514 122.254 119.070 -0.550 0.000 2.747 216 H HA 0.729 5.283 4.556 -0.002 0.000 0.371 216 H C -1.199 173.721 175.328 -0.680 0.000 1.161 216 H CA -0.409 55.307 56.048 -0.553 0.000 1.167 216 H CB 1.932 31.548 29.762 -0.242 0.000 1.732 216 H HN 0.519 nan 8.280 nan 0.000 0.544 217 F N 0.071 120.075 119.950 0.089 0.000 2.532 217 F HA 0.434 4.960 4.527 -0.003 0.000 0.321 217 F C -0.199 175.609 175.800 0.012 0.000 1.089 217 F CA -0.853 57.164 58.000 0.028 0.000 0.926 217 F CB 1.248 40.247 39.000 -0.002 0.000 1.168 217 F HN 0.389 nan 8.300 nan 0.000 0.459 218 C N 1.750 121.154 119.300 0.173 0.000 2.443 218 C HA 0.713 5.172 4.460 -0.002 0.000 0.369 218 C C 0.796 175.826 174.990 0.067 0.000 1.241 218 C CA -0.860 58.199 59.018 0.068 0.000 2.413 218 C CB 0.587 28.328 27.740 0.001 0.000 2.451 218 C HN 0.935 nan 8.230 nan 0.000 0.595 219 A N 3.877 126.710 122.820 0.023 0.000 2.520 219 A HA 0.385 4.704 4.320 -0.002 0.000 0.235 219 A C -2.009 175.569 177.584 -0.011 0.000 1.065 219 A CA -0.449 51.594 52.037 0.010 0.000 0.764 219 A CB -0.581 18.420 19.000 0.001 0.000 1.002 219 A HN 0.756 nan 8.150 nan 0.000 0.502 220 P HA 0.141 nan 4.420 nan 0.000 0.264 220 P C -0.679 176.575 177.300 -0.078 0.000 1.183 220 P CA 0.197 63.271 63.100 -0.044 0.000 0.763 220 P CB 0.412 32.097 31.700 -0.025 0.000 0.807 221 V N 3.902 123.740 119.914 -0.127 0.000 2.370 221 V HA 0.510 4.629 4.120 -0.002 0.000 0.283 221 V C 1.070 176.954 176.094 -0.350 0.000 1.023 221 V CA -0.266 61.902 62.300 -0.219 0.000 0.857 221 V CB 1.240 32.948 31.823 -0.191 0.000 0.985 221 V HN 0.750 nan 8.190 nan 0.000 0.443 222 G N 3.389 111.754 108.800 -0.726 0.000 2.425 222 G HA2 0.679 4.638 3.960 -0.002 0.000 0.302 222 G HA3 0.679 4.638 3.960 -0.002 0.000 0.302 222 G C -0.816 173.077 174.900 -1.678 0.000 1.159 222 G CA -0.268 44.204 45.100 -1.048 0.000 0.865 222 G HN 1.058 nan 8.290 nan 0.000 0.515 223 H N -1.689 116.706 119.070 -1.124 0.000 3.017 223 H HA 0.701 5.256 4.556 -0.002 0.000 0.346 223 H C -0.850 174.456 175.328 -0.036 0.000 1.286 223 H CA -1.165 54.425 56.048 -0.762 0.000 1.120 223 H CB 1.511 31.095 29.762 -0.297 0.000 1.860 223 H HN 0.578 nan 8.280 nan 0.000 0.542 224 R N 1.842 122.604 120.500 0.437 0.000 2.393 224 R HA 0.305 4.644 4.340 -0.002 0.000 0.315 224 R C -1.150 175.401 176.300 0.418 0.000 0.952 224 R CA -0.768 55.613 56.100 0.468 0.000 0.842 224 R CB 1.109 31.698 30.300 0.482 0.000 1.163 224 R HN 0.718 nan 8.270 nan 0.000 0.450 225 Q N 2.622 122.646 119.800 0.374 0.000 2.235 225 Q HA 0.280 4.619 4.340 -0.002 0.000 0.256 225 Q C -1.002 175.122 176.000 0.207 0.000 0.951 225 Q CA -0.451 55.533 55.803 0.302 0.000 0.890 225 Q CB 2.487 31.416 28.738 0.319 0.000 1.279 225 Q HN 0.647 nan 8.270 nan 0.000 0.444 226 E N 1.319 121.611 120.200 0.154 0.000 2.343 226 E HA 0.091 4.440 4.350 -0.002 0.000 0.288 226 E C -1.272 175.379 176.600 0.085 0.000 0.907 226 E CA -0.219 56.245 56.400 0.107 0.000 0.792 226 E CB 0.809 30.560 29.700 0.085 0.000 1.275 226 E HN 0.558 nan 8.360 nan 0.000 0.402 227 D N 3.358 123.805 120.400 0.078 0.000 2.837 227 D HA -0.208 4.431 4.640 -0.002 0.000 0.230 227 D C 0.605 176.954 176.300 0.082 0.000 1.152 227 D CA 2.463 56.504 54.000 0.069 0.000 0.736 227 D CB -1.147 39.682 40.800 0.047 0.000 1.084 227 D HN 1.001 nan 8.370 nan 0.000 0.429 228 G N -0.670 108.192 108.800 0.103 0.000 2.143 228 G HA2 -0.258 3.701 3.960 -0.002 0.000 0.249 228 G HA3 -0.258 3.701 3.960 -0.002 0.000 0.249 228 G C -0.198 174.758 174.900 0.094 0.000 0.981 228 G CA 0.303 45.466 45.100 0.105 0.000 0.665 228 G HN 0.534 nan 8.290 nan 0.000 0.528 229 D N -0.485 119.971 120.400 0.093 0.000 2.649 229 D HA 0.430 5.069 4.640 -0.002 0.000 0.249 229 D C 0.220 176.587 176.300 0.111 0.000 1.112 229 D CA -0.550 53.498 54.000 0.079 0.000 0.850 229 D CB 1.402 42.218 40.800 0.026 0.000 1.399 229 D HN 0.294 nan 8.370 nan 0.000 0.503 230 Y N 2.186 122.507 120.300 0.034 0.000 2.497 230 Y HA 0.155 4.703 4.550 -0.003 0.000 0.334 230 Y C 0.666 176.618 175.900 0.086 0.000 1.199 230 Y CA 0.065 58.198 58.100 0.054 0.000 1.425 230 Y CB 0.761 39.193 38.460 -0.046 0.000 1.291 230 Y HN 0.191 nan 8.280 nan 0.000 0.562 231 R N 2.619 123.107 120.500 -0.019 0.000 2.119 231 R HA 0.246 4.585 4.340 -0.002 0.000 0.202 231 R C -0.460 175.810 176.300 -0.051 0.000 1.114 231 R CA 0.448 56.484 56.100 -0.106 0.000 1.089 231 R CB -0.338 29.995 30.300 0.055 0.000 1.000 231 R HN 0.830 nan 8.270 nan 0.000 0.487 232 E N -0.125 120.244 120.200 0.283 0.000 2.343 232 E HA 0.458 4.807 4.350 -0.002 0.000 0.270 232 E C -1.087 175.876 176.600 0.606 0.000 0.895 232 E CA -0.601 56.073 56.400 0.457 0.000 0.767 232 E CB 2.357 32.333 29.700 0.460 0.000 1.248 232 E HN 0.099 nan 8.360 nan 0.000 0.440 233 S N 0.259 116.260 115.700 0.502 0.000 2.564 233 S HA 0.862 5.331 4.470 -0.002 0.000 0.274 233 S C -1.620 173.111 174.600 0.220 0.000 1.124 233 S CA -1.090 57.147 58.200 0.062 0.000 0.869 233 S CB 0.880 64.002 63.200 -0.129 0.000 1.105 233 S HN 0.658 nan 8.310 nan 0.000 0.472 234 W N 0.277 121.638 121.300 0.102 0.000 3.137 234 W HA 0.801 5.460 4.660 -0.001 0.000 0.324 234 W C -1.501 175.033 176.519 0.025 0.000 1.253 234 W CA -0.748 56.632 57.345 0.059 0.000 1.183 234 W CB 1.081 30.568 29.460 0.044 0.000 1.424 234 W HN 0.906 nan 8.180 nan 0.000 0.566 235 Q N 2.533 122.462 119.800 0.214 0.000 2.320 235 Q HA 0.444 4.782 4.340 -0.002 0.000 0.272 235 Q C -2.853 173.225 176.000 0.129 0.000 1.023 235 Q CA -2.000 53.866 55.803 0.105 0.000 0.855 235 Q CB 3.683 32.438 28.738 0.028 0.000 1.367 235 Q HN 0.287 nan 8.270 nan 0.000 0.406 236 P HA 0.116 nan 4.420 nan 0.000 0.292 236 P C -1.303 176.061 177.300 0.108 0.000 1.283 236 P CA -0.516 62.623 63.100 0.066 0.000 0.835 236 P CB 1.221 32.943 31.700 0.036 0.000 1.017 237 Q N 1.874 121.709 119.800 0.060 0.000 2.297 237 Q HA 0.043 4.382 4.340 -0.002 0.000 0.267 237 Q C -0.242 175.728 176.000 -0.051 0.000 1.006 237 Q CA 0.463 56.287 55.803 0.035 0.000 0.896 237 Q CB 0.197 28.870 28.738 -0.108 0.000 1.186 237 Q HN 0.291 nan 8.270 nan 0.000 0.392 238 Q N 4.128 123.872 119.800 -0.093 0.000 2.297 238 Q HA 0.389 4.728 4.340 -0.002 0.000 0.267 238 Q C -0.643 175.327 176.000 -0.051 0.000 1.006 238 Q CA 0.208 55.974 55.803 -0.062 0.000 0.896 238 Q CB 0.340 29.046 28.738 -0.054 0.000 1.186 238 Q HN 0.794 nan 8.270 nan 0.000 0.392 239 M N 0.022 119.658 119.600 0.061 0.000 3.079 239 M HA 0.551 5.030 4.480 -0.002 0.000 0.277 239 M C -0.780 175.592 176.300 0.121 0.000 1.317 239 M CA -1.205 54.208 55.300 0.188 0.000 0.793 239 M CB 1.339 34.116 32.600 0.294 0.000 1.690 239 M HN 0.444 nan 8.290 nan 0.000 0.451 240 S N -0.657 115.116 115.700 0.121 0.000 2.586 240 S HA 0.487 4.956 4.470 -0.002 0.000 0.274 240 S C -2.331 172.293 174.600 0.041 0.000 1.281 240 S CA -1.065 57.176 58.200 0.069 0.000 1.035 240 S CB 0.983 64.219 63.200 0.059 0.000 0.962 240 S HN 0.534 nan 8.310 nan 0.000 0.512 241 P HA -0.096 nan 4.420 nan 0.000 0.216 241 P C 1.622 178.921 177.300 -0.001 0.000 1.150 241 P CA 0.544 63.649 63.100 0.009 0.000 0.837 241 P CB -0.046 31.659 31.700 0.010 0.000 0.786 242 L N -0.422 120.805 121.223 0.007 0.000 2.056 242 L HA -0.055 4.284 4.340 -0.002 0.000 0.207 242 L C 2.216 179.082 176.870 -0.007 0.000 1.078 242 L CA 2.078 56.917 54.840 -0.001 0.000 0.749 242 L CB -1.480 40.582 42.059 0.005 0.000 0.901 242 L HN -0.122 nan 8.230 nan 0.000 0.433 243 A N -0.462 122.364 122.820 0.009 0.000 1.902 243 A HA -0.181 4.138 4.320 -0.002 0.000 0.217 243 A C 2.230 179.804 177.584 -0.017 0.000 1.181 243 A CA 1.843 53.885 52.037 0.008 0.000 0.623 243 A CB -1.069 17.958 19.000 0.046 0.000 0.818 243 A HN 0.486 nan 8.150 nan 0.000 0.443 244 L N 0.269 121.483 121.223 -0.015 0.000 1.989 244 L HA -0.201 4.138 4.340 -0.002 0.000 0.211 244 L C 2.280 179.075 176.870 -0.125 0.000 1.071 244 L CA 2.757 57.559 54.840 -0.063 0.000 0.749 244 L CB -0.902 41.130 42.059 -0.044 0.000 0.890 244 L HN 0.627 nan 8.230 nan 0.000 0.431 245 E N -0.699 119.446 120.200 -0.092 0.000 2.070 245 E HA -0.279 4.070 4.350 -0.002 0.000 0.197 245 E C 2.268 178.801 176.600 -0.112 0.000 1.004 245 E CA 1.642 57.982 56.400 -0.100 0.000 0.805 245 E CB -0.071 29.599 29.700 -0.051 0.000 0.744 245 E HN 0.520 nan 8.360 nan 0.000 0.451 246 R N 0.012 120.465 120.500 -0.079 0.000 2.081 246 R HA -0.095 4.243 4.340 -0.002 0.000 0.235 246 R C 2.468 178.710 176.300 -0.097 0.000 1.131 246 R CA 1.008 57.067 56.100 -0.070 0.000 0.960 246 R CB -0.406 29.870 30.300 -0.040 0.000 0.856 246 R HN 0.161 nan 8.270 nan 0.000 0.436 247 A N 1.733 124.482 122.820 -0.118 0.000 1.902 247 A HA -0.229 4.090 4.320 -0.002 0.000 0.217 247 A C 2.141 179.583 177.584 -0.237 0.000 1.181 247 A CA 1.339 53.291 52.037 -0.141 0.000 0.623 247 A CB -0.436 18.485 19.000 -0.131 0.000 0.818 247 A HN 0.352 nan 8.150 nan 0.000 0.443 248 Q N -0.963 118.600 119.800 -0.395 0.000 2.124 248 Q HA -0.203 4.136 4.340 -0.002 0.000 0.202 248 Q C 2.123 177.939 176.000 -0.308 0.000 0.977 248 Q CA 1.499 56.859 55.803 -0.738 0.000 0.850 248 Q CB -0.166 27.919 28.738 -1.088 0.000 0.901 248 Q HN 0.834 nan 8.270 nan 0.000 0.429 249 E N 0.783 120.881 120.200 -0.169 0.000 2.072 249 E HA -0.179 4.170 4.350 -0.002 0.000 0.191 249 E C 1.937 178.502 176.600 -0.059 0.000 0.985 249 E CA 0.716 57.075 56.400 -0.068 0.000 0.801 249 E CB 0.017 29.682 29.700 -0.059 0.000 0.750 249 E HN 0.336 nan 8.360 nan 0.000 0.452 250 I N 0.836 121.360 120.570 -0.078 0.000 2.179 250 I HA -0.270 3.899 4.170 -0.002 0.000 0.242 250 I C 2.566 178.635 176.117 -0.081 0.000 1.088 250 I CA 1.033 62.285 61.300 -0.081 0.000 1.357 250 I CB -0.299 37.672 38.000 -0.049 0.000 1.051 250 I HN 0.153 nan 8.210 nan 0.000 0.409 251 A N 0.871 123.673 122.820 -0.031 0.000 1.877 251 A HA -0.273 4.046 4.320 -0.002 0.000 0.216 251 A C 2.415 180.025 177.584 0.042 0.000 1.186 251 A CA 2.035 54.097 52.037 0.042 0.000 0.620 251 A CB -0.718 18.360 19.000 0.130 0.000 0.822 251 A HN 0.392 nan 8.150 nan 0.000 0.443 252 R N -0.169 120.409 120.500 0.130 0.000 2.080 252 R HA -0.214 4.125 4.340 -0.002 0.000 0.236 252 R C 2.102 178.363 176.300 -0.064 0.000 1.137 252 R CA 2.146 58.284 56.100 0.063 0.000 0.943 252 R CB -0.325 30.050 30.300 0.124 0.000 0.846 252 R HN 0.439 nan 8.270 nan 0.000 0.431 253 K N -0.225 120.132 120.400 -0.072 0.000 2.044 253 K HA -0.139 4.180 4.320 -0.002 0.000 0.210 253 K C 1.997 178.494 176.600 -0.171 0.000 1.049 253 K CA 1.894 58.113 56.287 -0.114 0.000 0.927 253 K CB -0.190 32.242 32.500 -0.114 0.000 0.713 253 K HN 0.040 nan 8.250 nan 0.000 0.443 254 V N 0.765 120.547 119.914 -0.220 0.000 2.261 254 V HA -0.251 3.868 4.120 -0.002 0.000 0.246 254 V C 2.266 178.184 176.094 -0.293 0.000 1.047 254 V CA 1.947 64.079 62.300 -0.279 0.000 1.015 254 V CB -0.574 31.054 31.823 -0.325 0.000 0.642 254 V HN 0.326 nan 8.190 nan 0.000 0.446 255 V N -1.305 118.381 119.914 -0.380 0.000 2.343 255 V HA -0.230 3.888 4.120 -0.002 0.000 0.247 255 V C 2.202 178.018 176.094 -0.462 0.000 1.051 255 V CA 2.002 63.868 62.300 -0.724 0.000 1.036 255 V CB -0.809 30.421 31.823 -0.989 0.000 0.654 255 V HN 0.453 nan 8.190 nan 0.000 0.451 256 L N 0.353 121.421 121.223 -0.259 0.000 2.093 256 L HA -0.041 4.298 4.340 -0.002 0.000 0.208 256 L C 2.999 179.798 176.870 -0.118 0.000 1.085 256 L CA 1.638 56.390 54.840 -0.147 0.000 0.755 256 L CB -0.800 41.198 42.059 -0.102 0.000 0.904 256 L HN 0.490 nan 8.230 nan 0.000 0.435 257 A N -0.146 122.594 122.820 -0.135 0.000 1.929 257 A HA -0.098 4.220 4.320 -0.002 0.000 0.216 257 A C 2.202 179.744 177.584 -0.070 0.000 1.176 257 A CA 0.966 52.944 52.037 -0.097 0.000 0.628 257 A CB -0.431 18.503 19.000 -0.110 0.000 0.816 257 A HN 0.337 nan 8.150 nan 0.000 0.444 258 L N -1.046 120.124 121.223 -0.087 0.000 2.056 258 L HA 0.142 4.481 4.340 -0.002 0.000 0.207 258 L C 1.433 178.339 176.870 0.059 0.000 1.078 258 L CA 0.746 55.595 54.840 0.015 0.000 0.749 258 L CB -0.986 41.130 42.059 0.096 0.000 0.901 258 L HN 0.637 nan 8.230 nan 0.000 0.433 259 G N -1.132 107.684 108.800 0.026 0.000 2.712 259 G HA2 0.271 4.230 3.960 -0.002 0.000 0.686 259 G HA3 0.271 4.230 3.960 -0.002 0.000 0.686 259 G C 0.020 175.017 174.900 0.160 0.000 1.321 259 G CA -0.510 44.620 45.100 0.051 0.000 0.813 259 G HN 0.821 nan 8.290 nan 0.000 0.599 260 G N -0.729 108.111 108.800 0.068 0.000 2.705 260 G HA2 0.296 4.255 3.960 -0.002 0.000 0.686 260 G HA3 0.296 4.255 3.960 -0.002 0.000 0.686 260 G C -0.403 174.652 174.900 0.258 0.000 1.285 260 G CA 0.115 45.251 45.100 0.058 0.000 0.800 260 G HN 1.847 nan 8.290 nan 0.000 0.611 261 Y N 0.631 121.046 120.300 0.192 0.000 2.319 261 Y HA 0.616 5.165 4.550 -0.002 0.000 0.328 261 Y C 1.272 177.280 175.900 0.180 0.000 1.133 261 Y CA 0.074 58.289 58.100 0.191 0.000 1.265 261 Y CB 1.330 39.873 38.460 0.137 0.000 1.218 261 Y HN 1.677 nan 8.280 nan 0.000 0.508 262 G N 1.426 110.454 108.800 0.382 0.000 2.320 262 G HA2 0.283 4.242 3.960 -0.002 0.000 0.297 262 G HA3 0.283 4.242 3.960 -0.002 0.000 0.297 262 G C -2.407 172.679 174.900 0.310 0.000 1.344 262 G CA -1.191 44.060 45.100 0.252 0.000 0.851 262 G HN 0.615 nan 8.290 nan 0.000 0.567 263 L N 0.097 121.568 121.223 0.413 0.000 2.275 263 L HA 0.850 5.189 4.340 -0.002 0.000 0.288 263 L C -1.097 175.739 176.870 -0.057 0.000 1.046 263 L CA -0.719 54.226 54.840 0.176 0.000 0.805 263 L CB 0.497 42.600 42.059 0.074 0.000 1.193 263 L HN 0.381 nan 8.230 nan 0.000 0.426 264 F N 2.568 122.533 119.950 0.024 0.000 2.508 264 F HA 0.628 5.153 4.527 -0.003 0.000 0.325 264 F C 0.812 176.591 175.800 -0.036 0.000 1.090 264 F CA -0.804 57.202 58.000 0.010 0.000 0.945 264 F CB 1.969 40.996 39.000 0.045 0.000 1.156 264 F HN 0.473 nan 8.300 nan 0.000 0.463 265 G N 2.035 110.898 108.800 0.104 0.000 2.547 265 G HA2 0.513 4.472 3.960 -0.002 0.000 0.327 265 G HA3 0.513 4.472 3.960 -0.002 0.000 0.327 265 G C -1.295 173.544 174.900 -0.102 0.000 1.118 265 G CA -0.482 44.562 45.100 -0.093 0.000 1.022 265 G HN 0.453 nan 8.290 nan 0.000 0.464 266 V N 3.219 123.095 119.914 -0.062 0.000 2.385 266 V HA 0.196 4.315 4.120 -0.002 0.000 0.269 266 V C 0.201 176.191 176.094 -0.174 0.000 1.043 266 V CA -0.464 61.823 62.300 -0.022 0.000 0.906 266 V CB 0.882 32.749 31.823 0.074 0.000 0.995 266 V HN 0.716 nan 8.190 nan 0.000 0.467 267 E N 5.901 125.935 120.200 -0.276 0.000 2.167 267 E HA 0.656 5.005 4.350 -0.002 0.000 0.284 267 E C -1.013 175.257 176.600 -0.549 0.000 1.016 267 E CA -0.348 55.810 56.400 -0.405 0.000 0.817 267 E CB 1.518 30.966 29.700 -0.419 0.000 1.080 267 E HN 0.514 nan 8.360 nan 0.000 0.397 268 L N 2.324 123.223 121.223 -0.539 0.000 2.376 268 L HA 0.560 4.899 4.340 -0.002 0.000 0.258 268 L C -0.954 175.503 176.870 -0.689 0.000 1.013 268 L CA -1.069 53.436 54.840 -0.559 0.000 0.822 268 L CB 1.212 43.128 42.059 -0.238 0.000 1.388 268 L HN 0.401 nan 8.230 nan 0.000 0.413 269 F N 0.648 120.448 119.950 -0.249 0.000 2.469 269 F HA 0.634 5.159 4.527 -0.003 0.000 0.332 269 F C -0.055 175.601 175.800 -0.240 0.000 1.103 269 F CA -1.076 56.709 58.000 -0.358 0.000 0.979 269 F CB 1.863 40.686 39.000 -0.294 0.000 1.137 269 F HN -0.098 nan 8.300 nan 0.000 0.463 270 V N 2.306 122.117 119.914 -0.172 0.000 2.376 270 V HA 0.356 4.475 4.120 -0.002 0.000 0.287 270 V C -0.933 174.952 176.094 -0.348 0.000 1.015 270 V CA -0.802 61.288 62.300 -0.351 0.000 0.834 270 V CB 1.197 32.578 31.823 -0.736 0.000 1.001 270 V HN 0.923 nan 8.190 nan 0.000 0.428 271 C N 3.938 123.155 119.300 -0.139 0.000 2.335 271 C HA 0.843 5.301 4.460 -0.002 0.000 0.318 271 C C 1.368 176.325 174.990 -0.056 0.000 1.150 271 C CA -0.183 58.791 59.018 -0.074 0.000 1.466 271 C CB -0.382 27.362 27.740 0.006 0.000 2.024 271 C HN 1.334 nan 8.230 nan 0.000 0.429 272 G N 3.730 112.495 108.800 -0.059 0.000 2.620 272 G HA2 -0.268 3.691 3.960 -0.002 0.000 0.315 272 G HA3 -0.268 3.691 3.960 -0.002 0.000 0.315 272 G C 0.320 175.217 174.900 -0.004 0.000 1.179 272 G CA 1.085 46.180 45.100 -0.009 0.000 0.971 272 G HN 0.578 nan 8.290 nan 0.000 0.544 273 D N 2.256 122.658 120.400 0.004 0.000 2.398 273 D HA 0.238 4.877 4.640 -0.002 0.000 0.210 273 D C 0.493 176.792 176.300 -0.002 0.000 1.094 273 D CA 0.378 54.383 54.000 0.008 0.000 0.839 273 D CB 0.338 41.146 40.800 0.013 0.000 0.963 273 D HN 0.496 nan 8.370 nan 0.000 0.506 274 E N 0.644 120.839 120.200 -0.007 0.000 2.242 274 E HA 0.443 4.792 4.350 -0.002 0.000 0.275 274 E C -0.042 176.552 176.600 -0.010 0.000 1.002 274 E CA -0.763 55.637 56.400 -0.000 0.000 0.841 274 E CB 2.647 32.356 29.700 0.014 0.000 1.109 274 E HN -0.227 nan 8.360 nan 0.000 0.394 275 V N 2.603 122.518 119.914 0.002 0.000 2.709 275 V HA 0.430 4.549 4.120 -0.002 0.000 0.308 275 V C -0.513 175.601 176.094 0.035 0.000 1.062 275 V CA -0.828 61.471 62.300 -0.002 0.000 0.901 275 V CB 1.582 33.390 31.823 -0.025 0.000 1.003 275 V HN 0.468 nan 8.190 nan 0.000 0.425 276 I N 4.113 124.715 120.570 0.053 0.000 2.498 276 I HA 0.425 4.594 4.170 -0.002 0.000 0.290 276 I C -0.509 175.625 176.117 0.027 0.000 1.032 276 I CA -0.354 61.007 61.300 0.101 0.000 1.073 276 I CB 1.717 39.842 38.000 0.209 0.000 1.251 276 I HN 0.599 nan 8.210 nan 0.000 0.426 277 F N 5.302 125.200 119.950 -0.086 0.000 2.467 277 F HA 0.318 4.842 4.527 -0.004 0.000 0.362 277 F C 1.239 176.932 175.800 -0.178 0.000 1.090 277 F CA 0.612 58.519 58.000 -0.154 0.000 1.202 277 F CB 1.263 40.203 39.000 -0.100 0.000 1.113 277 F HN 0.610 nan 8.300 nan 0.000 0.541 278 S N 3.778 118.892 115.700 -0.977 0.000 2.433 278 S HA 0.238 4.706 4.470 -0.002 0.000 0.216 278 S C -0.146 173.756 174.600 -1.163 0.000 1.031 278 S CA 0.683 58.364 58.200 -0.864 0.000 0.931 278 S CB -0.244 62.376 63.200 -0.967 0.000 0.875 278 S HN 0.846 nan 8.310 nan 0.000 0.553 279 E N -0.826 118.592 120.200 -1.304 0.000 2.425 279 E HA 0.657 5.006 4.350 -0.002 0.000 0.272 279 E C -1.620 174.690 176.600 -0.483 0.000 1.061 279 E CA -1.066 54.807 56.400 -0.878 0.000 0.877 279 E CB 1.712 31.229 29.700 -0.306 0.000 1.590 279 E HN 0.220 nan 8.360 nan 0.000 0.462 280 V N 0.469 120.372 119.914 -0.019 0.000 2.891 280 V HA 0.624 4.743 4.120 -0.002 0.000 0.304 280 V C -1.635 174.546 176.094 0.146 0.000 1.171 280 V CA 0.002 62.385 62.300 0.138 0.000 0.943 280 V CB 2.146 34.184 31.823 0.360 0.000 1.037 280 V HN 0.917 nan 8.190 nan 0.000 0.427 281 S N 6.552 122.335 115.700 0.137 0.000 2.442 281 S HA 0.655 5.124 4.470 -0.002 0.000 0.297 281 S C -2.498 172.149 174.600 0.077 0.000 1.131 281 S CA -1.506 56.759 58.200 0.109 0.000 1.092 281 S CB 1.633 64.911 63.200 0.129 0.000 0.998 281 S HN 0.762 nan 8.310 nan 0.000 0.478 282 P HA 0.221 nan 4.420 nan 0.000 0.226 282 P C -0.396 176.673 177.300 -0.385 0.000 1.758 282 P CA -0.115 62.825 63.100 -0.267 0.000 0.896 282 P CB -0.825 30.816 31.700 -0.099 0.000 1.784 283 R N -2.227 118.080 120.500 -0.322 0.000 2.774 283 R HA 0.510 4.849 4.340 -0.002 0.000 0.279 283 R C -3.476 172.614 176.300 -0.350 0.000 1.022 283 R CA -2.130 53.706 56.100 -0.439 0.000 0.855 283 R CB -0.591 29.550 30.300 -0.264 0.000 1.279 283 R HN -0.298 nan 8.270 nan 0.000 0.485 284 P HA -0.034 nan 4.420 nan 0.000 0.266 284 P C -1.083 176.152 177.300 -0.108 0.000 1.193 284 P CA 0.271 63.203 63.100 -0.279 0.000 0.770 284 P CB 0.292 31.814 31.700 -0.296 0.000 0.836 285 H N 2.580 121.521 119.070 -0.215 0.000 2.492 285 H HA 0.080 4.635 4.556 -0.002 0.000 0.345 285 H C 0.683 175.902 175.328 -0.182 0.000 1.136 285 H CA -0.470 55.470 56.048 -0.180 0.000 1.202 285 H CB 1.502 31.145 29.762 -0.199 0.000 1.524 285 H HN 0.405 nan 8.280 nan 0.000 0.506 286 D N 2.172 122.320 120.400 -0.420 0.000 2.133 286 D HA -0.251 4.388 4.640 -0.002 0.000 0.192 286 D C 1.679 177.704 176.300 -0.459 0.000 1.001 286 D CA 2.392 56.235 54.000 -0.262 0.000 0.844 286 D CB -0.942 39.792 40.800 -0.109 0.000 0.944 286 D HN 0.653 nan 8.370 nan 0.000 0.447 287 T N -2.804 111.350 114.554 -0.667 0.000 2.849 287 T HA -0.039 4.310 4.350 -0.002 0.000 0.270 287 T C 2.156 176.629 174.700 -0.378 0.000 1.066 287 T CA 1.244 62.827 62.100 -0.862 0.000 1.130 287 T CB -1.205 67.301 68.868 -0.603 0.000 0.864 287 T HN 0.334 nan 8.240 nan 0.000 0.481 288 G N 0.791 109.473 108.800 -0.197 0.000 2.625 288 G HA2 0.024 3.982 3.960 -0.002 0.000 0.214 288 G HA3 0.024 3.982 3.960 -0.002 0.000 0.214 288 G C 1.408 176.246 174.900 -0.104 0.000 1.132 288 G CA 0.223 45.223 45.100 -0.166 0.000 0.782 288 G HN 0.505 nan 8.290 nan 0.000 0.538 289 M N 0.081 119.684 119.600 0.005 0.000 2.358 289 M HA -0.050 4.429 4.480 -0.002 0.000 0.264 289 M C 2.541 178.938 176.300 0.163 0.000 1.064 289 M CA 0.598 56.015 55.300 0.196 0.000 1.093 289 M CB -0.187 32.590 32.600 0.294 0.000 1.401 289 M HN 0.175 nan 8.290 nan 0.000 0.440 290 V N 0.938 120.905 119.914 0.089 0.000 2.568 290 V HA -0.241 3.878 4.120 -0.002 0.000 0.253 290 V C 2.335 178.482 176.094 0.089 0.000 1.072 290 V CA 2.543 64.905 62.300 0.103 0.000 1.084 290 V CB -0.729 31.141 31.823 0.078 0.000 0.676 290 V HN 0.690 nan 8.190 nan 0.000 0.469 291 T N -2.256 112.323 114.554 0.043 0.000 3.098 291 T HA -0.067 4.282 4.350 -0.002 0.000 0.266 291 T C 1.639 176.394 174.700 0.090 0.000 1.145 291 T CA 1.372 63.486 62.100 0.024 0.000 1.092 291 T CB -0.526 68.303 68.868 -0.064 0.000 0.908 291 T HN 0.508 nan 8.240 nan 0.000 0.526 292 L N -0.596 120.722 121.223 0.158 0.000 2.376 292 L HA 0.353 4.692 4.340 -0.002 0.000 0.219 292 L C 2.277 179.240 176.870 0.155 0.000 1.133 292 L CA 0.867 55.821 54.840 0.191 0.000 0.816 292 L CB -0.185 42.005 42.059 0.218 0.000 0.933 292 L HN 0.327 nan 8.230 nan 0.000 0.449 293 I N -2.029 118.632 120.570 0.151 0.000 4.456 293 I HA -0.050 4.119 4.170 -0.002 0.000 0.329 293 I C 1.944 178.194 176.117 0.222 0.000 1.313 293 I CA 0.368 61.764 61.300 0.160 0.000 1.205 293 I CB 0.527 38.605 38.000 0.130 0.000 1.179 293 I HN 0.144 nan 8.210 nan 0.000 0.419 294 S N -0.715 115.091 115.700 0.178 0.000 2.517 294 S HA 0.290 4.758 4.470 -0.002 0.000 0.214 294 S C 0.602 175.202 174.600 -0.000 0.000 0.991 294 S CA -0.319 57.976 58.200 0.159 0.000 0.906 294 S CB 0.196 63.445 63.200 0.081 0.000 0.789 294 S HN 0.397 nan 8.310 nan 0.000 0.513 295 Q N 0.490 120.259 119.800 -0.051 0.000 2.544 295 Q HA 0.286 4.625 4.340 -0.002 0.000 0.291 295 Q C -0.337 175.534 176.000 -0.215 0.000 1.068 295 Q CA -0.464 55.126 55.803 -0.355 0.000 0.785 295 Q CB 1.498 30.129 28.738 -0.178 0.000 1.481 295 Q HN 0.227 nan 8.270 nan 0.000 0.430 296 D N 0.171 120.377 120.400 -0.324 0.000 2.117 296 D HA -0.099 4.539 4.640 -0.002 0.000 0.198 296 D C 0.295 176.614 176.300 0.031 0.000 0.982 296 D CA 1.327 55.336 54.000 0.015 0.000 0.828 296 D CB 0.051 40.855 40.800 0.007 0.000 0.967 296 D HN 0.294 nan 8.370 nan 0.000 0.464 297 L N 1.128 122.331 121.223 -0.034 0.000 2.313 297 L HA 0.380 4.719 4.340 -0.002 0.000 0.283 297 L C 0.485 177.342 176.870 -0.022 0.000 1.013 297 L CA -1.014 53.814 54.840 -0.019 0.000 0.816 297 L CB 1.942 43.971 42.059 -0.050 0.000 1.236 297 L HN -0.027 nan 8.230 nan 0.000 0.419 298 S N 0.461 116.177 115.700 0.027 0.000 2.608 298 S HA 0.090 4.559 4.470 -0.002 0.000 0.261 298 S C 1.053 175.587 174.600 -0.110 0.000 1.314 298 S CA -0.083 58.126 58.200 0.014 0.000 0.992 298 S CB 0.781 64.098 63.200 0.194 0.000 0.935 298 S HN 0.829 nan 8.310 nan 0.000 0.564 299 E N 0.429 120.432 120.200 -0.328 0.000 2.209 299 E HA -0.186 4.162 4.350 -0.002 0.000 0.196 299 E C 1.189 177.551 176.600 -0.396 0.000 0.993 299 E CA 1.283 57.425 56.400 -0.429 0.000 0.819 299 E CB -0.724 28.615 29.700 -0.602 0.000 0.745 299 E HN 0.737 nan 8.360 nan 0.000 0.477 300 F N 1.831 121.788 119.950 0.012 0.000 2.163 300 F HA 0.113 4.638 4.527 -0.003 0.000 0.297 300 F C 2.719 178.535 175.800 0.026 0.000 1.094 300 F CA 0.751 58.774 58.000 0.038 0.000 1.290 300 F CB -0.706 38.304 39.000 0.015 0.000 1.017 300 F HN 0.099 nan 8.300 nan 0.000 0.483 301 A N 0.687 123.595 122.820 0.146 0.000 1.902 301 A HA -0.108 4.210 4.320 -0.002 0.000 0.217 301 A C 2.223 179.783 177.584 -0.040 0.000 1.181 301 A CA 1.456 53.514 52.037 0.036 0.000 0.623 301 A CB -1.176 17.844 19.000 0.032 0.000 0.818 301 A HN 0.401 nan 8.150 nan 0.000 0.443 302 L N -1.700 119.500 121.223 -0.037 0.000 2.046 302 L HA -0.206 4.133 4.340 -0.002 0.000 0.208 302 L C 2.642 179.490 176.870 -0.037 0.000 1.077 302 L CA 1.712 56.517 54.840 -0.058 0.000 0.747 302 L CB -0.673 41.353 42.059 -0.056 0.000 0.896 302 L HN 0.555 nan 8.230 nan 0.000 0.432 303 H N -0.322 118.696 119.070 -0.086 0.000 2.319 303 H HA -0.165 4.389 4.556 -0.003 0.000 0.299 303 H C 2.108 177.325 175.328 -0.185 0.000 1.092 303 H CA 2.033 58.065 56.048 -0.027 0.000 1.302 303 H CB -0.175 29.629 29.762 0.070 0.000 1.373 303 H HN 0.002 nan 8.280 nan 0.000 0.497 304 V N 0.456 120.163 119.914 -0.346 0.000 2.295 304 V HA -0.243 3.876 4.120 -0.002 0.000 0.246 304 V C 2.635 178.172 176.094 -0.929 0.000 1.049 304 V CA 2.084 63.788 62.300 -0.995 0.000 1.024 304 V CB -0.577 30.964 31.823 -0.470 0.000 0.648 304 V HN 0.314 nan 8.190 nan 0.000 0.447 305 R N 1.080 121.304 120.500 -0.460 0.000 2.112 305 R HA -0.219 4.120 4.340 -0.002 0.000 0.242 305 R C 2.164 178.255 176.300 -0.347 0.000 1.137 305 R CA 2.318 58.217 56.100 -0.336 0.000 0.944 305 R CB -1.038 29.134 30.300 -0.214 0.000 0.857 305 R HN 0.452 nan 8.270 nan 0.000 0.435 306 A N 0.283 122.924 122.820 -0.298 0.000 1.858 306 A HA -0.139 4.180 4.320 -0.002 0.000 0.216 306 A C 2.128 179.632 177.584 -0.134 0.000 1.190 306 A CA 1.714 53.617 52.037 -0.223 0.000 0.617 306 A CB -1.090 17.864 19.000 -0.077 0.000 0.827 306 A HN 0.627 nan 8.150 nan 0.000 0.443 307 F N -0.067 119.796 119.950 -0.146 0.000 2.269 307 F HA 0.035 4.562 4.527 0.000 0.000 0.301 307 F C 1.416 177.155 175.800 -0.101 0.000 1.082 307 F CA 0.903 58.847 58.000 -0.094 0.000 1.360 307 F CB -0.819 38.040 39.000 -0.235 0.000 1.041 307 F HN 0.089 nan 8.300 nan 0.000 0.512 308 L N 0.748 121.758 121.223 -0.356 0.000 2.610 308 L HA 0.202 4.540 4.340 -0.002 0.000 0.232 308 L C 1.803 178.674 176.870 0.001 0.000 1.149 308 L CA 0.793 55.503 54.840 -0.217 0.000 0.872 308 L CB -1.021 40.812 42.059 -0.377 0.000 0.992 308 L HN 0.603 nan 8.230 nan 0.000 0.447 309 G N 0.378 109.187 108.800 0.015 0.000 2.137 309 G HA2 -0.256 3.703 3.960 -0.002 0.000 0.237 309 G HA3 -0.256 3.703 3.960 -0.002 0.000 0.237 309 G C 0.050 174.894 174.900 -0.094 0.000 1.002 309 G CA -0.121 44.994 45.100 0.026 0.000 0.702 309 G HN 0.244 nan 8.290 nan 0.000 0.515 310 L N 0.830 121.957 121.223 -0.161 0.000 2.352 310 L HA 0.621 4.960 4.340 -0.002 0.000 0.269 310 L C -1.739 175.017 176.870 -0.189 0.000 1.034 310 L CA -2.548 52.200 54.840 -0.152 0.000 0.806 310 L CB 1.529 43.497 42.059 -0.151 0.000 1.244 310 L HN -0.075 nan 8.230 nan 0.000 0.447 311 P HA 0.140 nan 4.420 nan 0.000 0.282 311 P C 0.311 177.517 177.300 -0.158 0.000 1.249 311 P CA -0.426 62.585 63.100 -0.149 0.000 0.806 311 P CB 1.967 33.603 31.700 -0.107 0.000 0.984 312 V N 1.861 121.669 119.914 -0.177 0.000 2.426 312 V HA 0.060 4.179 4.120 -0.002 0.000 0.242 312 V C 2.196 178.124 176.094 -0.277 0.000 1.036 312 V CA 2.255 64.425 62.300 -0.217 0.000 1.044 312 V CB -1.609 30.082 31.823 -0.219 0.000 0.688 312 V HN 0.942 nan 8.190 nan 0.000 0.462 313 G N 0.016 108.601 108.800 -0.359 0.000 3.639 313 G HA2 -0.191 3.768 3.960 -0.002 0.000 0.224 313 G HA3 -0.191 3.768 3.960 -0.002 0.000 0.224 313 G C 0.616 175.222 174.900 -0.490 0.000 1.339 313 G CA 0.393 45.289 45.100 -0.340 0.000 0.933 313 G HN 1.518 nan 8.290 nan 0.000 0.568 314 G N -1.217 107.353 108.800 -0.385 0.000 2.608 314 G HA2 0.645 4.603 3.960 -0.002 0.000 0.291 314 G HA3 0.645 4.603 3.960 -0.002 0.000 0.291 314 G C -1.620 173.157 174.900 -0.204 0.000 1.425 314 G CA -0.309 44.611 45.100 -0.300 0.000 0.787 314 G HN 0.931 nan 8.290 nan 0.000 0.484 315 I N 0.641 121.129 120.570 -0.137 0.000 2.468 315 I HA 0.429 4.598 4.170 -0.002 0.000 0.285 315 I C 0.068 176.110 176.117 -0.125 0.000 1.039 315 I CA -0.672 60.557 61.300 -0.119 0.000 1.074 315 I CB 2.157 40.106 38.000 -0.085 0.000 1.228 315 I HN 0.427 nan 8.210 nan 0.000 0.436 316 R N 5.212 125.604 120.500 -0.180 0.000 2.368 316 R HA 0.353 4.692 4.340 -0.002 0.000 0.302 316 R C -0.667 175.387 176.300 -0.411 0.000 1.002 316 R CA -0.427 55.533 56.100 -0.234 0.000 0.929 316 R CB 1.220 31.397 30.300 -0.205 0.000 1.073 316 R HN 0.507 nan 8.270 nan 0.000 0.464 317 Q N 4.217 123.832 119.800 -0.307 0.000 2.333 317 Q HA 0.097 4.436 4.340 -0.002 0.000 0.265 317 Q C -0.904 174.961 176.000 -0.225 0.000 0.989 317 Q CA -0.303 55.329 55.803 -0.285 0.000 0.842 317 Q CB 1.290 29.962 28.738 -0.111 0.000 1.262 317 Q HN 0.822 nan 8.270 nan 0.000 0.451 318 Y N 1.913 122.226 120.300 0.022 0.000 2.471 318 Y HA 0.274 4.823 4.550 -0.002 0.000 0.321 318 Y C 1.333 177.249 175.900 0.026 0.000 1.195 318 Y CA 0.255 58.368 58.100 0.022 0.000 1.272 318 Y CB 0.322 38.796 38.460 0.023 0.000 1.097 318 Y HN 0.859 nan 8.280 nan 0.000 0.507 319 G N 0.343 109.223 108.800 0.133 0.000 2.592 319 G HA2 -0.161 3.797 3.960 -0.002 0.000 0.684 319 G HA3 -0.161 3.797 3.960 -0.002 0.000 0.684 319 G C -3.100 171.858 174.900 0.097 0.000 1.291 319 G CA -1.623 43.539 45.100 0.103 0.000 0.891 319 G HN -0.069 nan 8.290 nan 0.000 0.544 320 P HA 0.456 nan 4.420 nan 0.000 0.264 320 P C 0.073 177.437 177.300 0.107 0.000 1.193 320 P CA 1.168 64.321 63.100 0.089 0.000 0.763 320 P CB 1.009 32.746 31.700 0.062 0.000 0.810 321 A N 2.217 125.118 122.820 0.135 0.000 2.609 321 A HA 0.881 5.200 4.320 -0.002 0.000 0.291 321 A C -1.495 176.206 177.584 0.195 0.000 1.096 321 A CA -0.325 51.799 52.037 0.145 0.000 0.684 321 A CB 1.749 20.831 19.000 0.137 0.000 1.282 321 A HN 0.562 nan 8.150 nan 0.000 0.412 322 A N -0.025 122.910 122.820 0.191 0.000 2.606 322 A HA 0.905 5.224 4.320 -0.002 0.000 0.293 322 A C -0.350 177.364 177.584 0.216 0.000 1.082 322 A CA 0.193 52.380 52.037 0.249 0.000 0.685 322 A CB 1.152 20.311 19.000 0.265 0.000 1.284 322 A HN 2.371 nan 8.150 nan 0.000 0.408 323 S N -0.084 115.772 115.700 0.260 0.000 2.536 323 S HA 0.894 5.363 4.470 -0.002 0.000 0.298 323 S C -0.471 174.294 174.600 0.275 0.000 1.083 323 S CA -0.037 58.319 58.200 0.259 0.000 0.995 323 S CB 1.835 65.214 63.200 0.299 0.000 1.058 323 S HN 2.331 nan 8.310 nan 0.000 0.488 324 A N 2.066 124.995 122.820 0.181 0.000 2.402 324 A HA 0.673 4.992 4.320 -0.002 0.000 0.291 324 A C -0.066 177.526 177.584 0.013 0.000 1.051 324 A CA -0.680 51.417 52.037 0.101 0.000 0.716 324 A CB 0.980 20.035 19.000 0.092 0.000 1.223 324 A HN 1.912 nan 8.150 nan 0.000 0.425 325 V N 0.890 120.741 119.914 -0.105 0.000 2.811 325 V HA 0.564 4.683 4.120 -0.002 0.000 0.302 325 V C 0.099 176.139 176.094 -0.091 0.000 1.063 325 V CA -0.189 62.032 62.300 -0.132 0.000 1.088 325 V CB 0.611 32.269 31.823 -0.275 0.000 0.982 325 V HN 0.598 nan 8.190 nan 0.000 0.485 326 I N 4.691 125.200 120.570 -0.102 0.000 2.307 326 I HA 0.352 4.520 4.170 -0.002 0.000 0.287 326 I C -0.407 175.676 176.117 -0.057 0.000 1.054 326 I CA -0.114 61.133 61.300 -0.088 0.000 1.218 326 I CB 1.195 39.111 38.000 -0.139 0.000 1.398 326 I HN 0.529 nan 8.210 nan 0.000 0.475 327 L N 10.021 131.224 121.223 -0.034 0.000 2.556 327 L HA 0.523 4.862 4.340 -0.002 0.000 0.243 327 L C -2.151 174.715 176.870 -0.006 0.000 1.331 327 L CA -1.329 53.501 54.840 -0.017 0.000 0.927 327 L CB 0.426 42.464 42.059 -0.036 0.000 1.219 327 L HN 0.273 nan 8.230 nan 0.000 0.490 328 P HA 0.217 nan 4.420 nan 0.000 0.277 328 P C -1.384 175.913 177.300 -0.005 0.000 1.271 328 P CA -0.472 62.627 63.100 -0.002 0.000 0.795 328 P CB 1.034 32.735 31.700 0.002 0.000 1.101 329 Q N 0.702 120.494 119.800 -0.014 0.000 2.350 329 Q HA 0.600 4.939 4.340 -0.002 0.000 0.255 329 Q C -1.170 174.816 176.000 -0.022 0.000 0.951 329 Q CA -0.569 55.226 55.803 -0.014 0.000 0.751 329 Q CB 0.678 29.410 28.738 -0.010 0.000 1.296 329 Q HN 0.568 nan 8.270 nan 0.000 0.453 330 L N -0.447 120.761 121.223 -0.025 0.000 3.119 330 L HA 0.728 5.067 4.340 -0.002 0.000 0.283 330 L C -1.550 175.301 176.870 -0.033 0.000 1.028 330 L CA -0.859 53.962 54.840 -0.032 0.000 0.975 330 L CB 2.107 44.139 42.059 -0.044 0.000 1.543 330 L HN 0.254 nan 8.230 nan 0.000 0.390 331 T N 0.973 115.506 114.554 -0.035 0.000 2.840 331 T HA 0.737 5.086 4.350 -0.002 0.000 0.287 331 T C -0.853 173.824 174.700 -0.039 0.000 0.991 331 T CA -0.400 61.680 62.100 -0.033 0.000 0.964 331 T CB 1.250 70.102 68.868 -0.027 0.000 0.954 331 T HN 0.834 nan 8.240 nan 0.000 0.438 332 S N 2.300 117.976 115.700 -0.040 0.000 2.578 332 S HA 0.359 4.827 4.470 -0.002 0.000 0.272 332 S C -1.074 173.505 174.600 -0.035 0.000 1.145 332 S CA -0.590 57.583 58.200 -0.044 0.000 0.835 332 S CB 1.723 64.883 63.200 -0.066 0.000 1.104 332 S HN 0.662 nan 8.310 nan 0.000 0.458 333 Q N 1.459 121.242 119.800 -0.028 0.000 2.135 333 Q HA 0.353 4.692 4.340 -0.002 0.000 0.222 333 Q C -0.539 175.456 176.000 -0.008 0.000 0.808 333 Q CA -0.112 55.684 55.803 -0.012 0.000 1.049 333 Q CB 0.570 29.305 28.738 -0.005 0.000 1.168 333 Q HN 0.463 nan 8.270 nan 0.000 0.483 334 N N 0.211 118.893 118.700 -0.029 0.000 2.639 334 N HA 0.095 4.834 4.740 -0.002 0.000 0.265 334 N C -1.394 174.070 175.510 -0.077 0.000 1.689 334 N CA -0.011 53.021 53.050 -0.031 0.000 0.813 334 N CB 0.916 39.387 38.487 -0.027 0.000 1.353 334 N HN -0.160 nan 8.380 nan 0.000 0.510 335 V N 1.210 121.060 119.914 -0.107 0.000 2.655 335 V HA 0.299 4.418 4.120 -0.002 0.000 0.300 335 V C 0.969 176.834 176.094 -0.382 0.000 1.044 335 V CA 0.235 62.374 62.300 -0.268 0.000 1.095 335 V CB 0.802 32.439 31.823 -0.309 0.000 0.952 335 V HN 0.593 nan 8.190 nan 0.000 0.485 336 T N 1.523 115.764 114.554 -0.522 0.000 2.916 336 T HA 0.783 5.131 4.350 -0.002 0.000 0.292 336 T C -1.075 173.185 174.700 -0.733 0.000 1.064 336 T CA -0.633 61.211 62.100 -0.427 0.000 1.011 336 T CB 1.726 70.501 68.868 -0.154 0.000 1.152 336 T HN 0.181 nan 8.240 nan 0.000 0.510 337 F N 0.808 120.742 119.950 -0.028 0.000 2.499 337 F HA 0.555 5.081 4.527 -0.003 0.000 0.333 337 F C -0.018 175.764 175.800 -0.030 0.000 1.138 337 F CA -0.877 57.101 58.000 -0.037 0.000 0.945 337 F CB 1.731 40.702 39.000 -0.048 0.000 1.181 337 F HN 0.619 nan 8.300 nan 0.000 0.435 338 D N 0.977 121.432 120.400 0.091 0.000 2.326 338 D HA 0.288 4.927 4.640 -0.002 0.000 0.248 338 D C 0.455 176.783 176.300 0.046 0.000 1.001 338 D CA -0.176 53.854 54.000 0.050 0.000 0.961 338 D CB 1.061 41.866 40.800 0.008 0.000 1.183 338 D HN 0.496 nan 8.370 nan 0.000 0.502 339 N N 0.604 119.321 118.700 0.029 0.000 2.741 339 N HA -0.195 4.543 4.740 -0.002 0.000 0.251 339 N C 0.654 176.176 175.510 0.021 0.000 1.112 339 N CA 0.909 53.970 53.050 0.019 0.000 0.750 339 N CB -1.161 37.330 38.487 0.008 0.000 1.119 339 N HN 0.162 nan 8.380 nan 0.000 0.561 340 V N 0.743 120.675 119.914 0.031 0.000 2.568 340 V HA -0.311 3.807 4.120 -0.002 0.000 0.253 340 V C 2.545 178.646 176.094 0.012 0.000 1.072 340 V CA 2.317 64.629 62.300 0.020 0.000 1.084 340 V CB -0.476 31.360 31.823 0.022 0.000 0.676 340 V HN 0.687 nan 8.190 nan 0.000 0.469 341 Q N 0.009 119.818 119.800 0.016 0.000 2.364 341 Q HA -0.187 4.152 4.340 -0.002 0.000 0.209 341 Q C 1.123 177.136 176.000 0.022 0.000 0.977 341 Q CA 1.488 57.301 55.803 0.016 0.000 0.885 341 Q CB -0.587 28.160 28.738 0.016 0.000 0.941 341 Q HN 0.627 nan 8.270 nan 0.000 0.464 342 N N 0.107 118.821 118.700 0.024 0.000 2.235 342 N HA 0.230 4.968 4.740 -0.002 0.000 0.209 342 N C 0.282 175.818 175.510 0.043 0.000 1.122 342 N CA 0.675 53.748 53.050 0.039 0.000 0.845 342 N CB 1.070 39.580 38.487 0.039 0.000 1.004 342 N HN 0.387 nan 8.380 nan 0.000 0.499 343 A N 0.026 122.861 122.820 0.024 0.000 2.469 343 A HA 0.286 4.605 4.320 -0.002 0.000 0.245 343 A C 0.545 178.141 177.584 0.019 0.000 1.221 343 A CA -0.130 51.917 52.037 0.017 0.000 0.946 343 A CB 0.330 19.324 19.000 -0.010 0.000 1.049 343 A HN 0.026 nan 8.150 nan 0.000 0.529 344 V N -4.592 115.335 119.914 0.022 0.000 3.078 344 V HA 1.022 5.140 4.120 -0.002 0.000 0.311 344 V C -0.071 176.036 176.094 0.021 0.000 1.138 344 V CA -0.008 62.302 62.300 0.017 0.000 1.007 344 V CB 1.262 33.089 31.823 0.006 0.000 1.045 344 V HN 1.268 nan 8.190 nan 0.000 0.432 345 G N 0.502 109.313 108.800 0.018 0.000 2.367 345 G HA2 0.660 4.619 3.960 -0.002 0.000 0.272 345 G HA3 0.660 4.619 3.960 -0.002 0.000 0.272 345 G C -0.342 174.565 174.900 0.012 0.000 1.271 345 G CA -0.100 45.009 45.100 0.015 0.000 0.893 345 G HN 2.001 nan 8.290 nan 0.000 0.485 346 A N 0.032 122.857 122.820 0.008 0.000 2.520 346 A HA 0.485 4.804 4.320 -0.002 0.000 0.245 346 A C 0.763 178.353 177.584 0.010 0.000 1.072 346 A CA 1.224 53.263 52.037 0.005 0.000 0.761 346 A CB -0.366 18.634 19.000 0.001 0.000 1.004 346 A HN 1.353 nan 8.150 nan 0.000 0.499 347 D N -1.218 119.187 120.400 0.009 0.000 2.751 347 D HA -0.177 4.462 4.640 -0.002 0.000 0.233 347 D C -0.512 175.807 176.300 0.031 0.000 1.149 347 D CA 1.683 55.693 54.000 0.018 0.000 0.682 347 D CB -1.187 39.624 40.800 0.019 0.000 1.068 347 D HN 0.564 nan 8.370 nan 0.000 0.429 348 L N 0.082 121.322 121.223 0.029 0.000 2.526 348 L HA 0.360 4.699 4.340 -0.002 0.000 0.263 348 L C -1.334 175.553 176.870 0.029 0.000 0.943 348 L CA -0.159 54.703 54.840 0.037 0.000 0.859 348 L CB 1.939 44.021 42.059 0.038 0.000 1.313 348 L HN 0.021 nan 8.230 nan 0.000 0.406 349 Q N 4.820 124.640 119.800 0.033 0.000 2.553 349 Q HA 0.817 5.156 4.340 -0.002 0.000 0.293 349 Q C -1.270 174.736 176.000 0.011 0.000 1.038 349 Q CA -0.904 54.910 55.803 0.020 0.000 0.777 349 Q CB 3.069 31.823 28.738 0.026 0.000 1.487 349 Q HN 0.724 nan 8.270 nan 0.000 0.426 350 I N -2.737 117.823 120.570 -0.016 0.000 2.969 350 I HA 0.734 4.902 4.170 -0.002 0.000 0.307 350 I C -1.207 174.869 176.117 -0.068 0.000 1.149 350 I CA -1.247 60.022 61.300 -0.051 0.000 1.008 350 I CB 2.186 40.128 38.000 -0.096 0.000 1.232 350 I HN 0.311 nan 8.210 nan 0.000 0.435 351 R N 4.218 124.657 120.500 -0.102 0.000 2.599 351 R HA 0.709 5.048 4.340 -0.002 0.000 0.295 351 R C -1.482 174.604 176.300 -0.358 0.000 0.963 351 R CA -0.820 55.220 56.100 -0.099 0.000 0.883 351 R CB 2.093 32.455 30.300 0.104 0.000 1.171 351 R HN 0.704 nan 8.270 nan 0.000 0.450 352 L N 3.714 124.729 121.223 -0.347 0.000 2.343 352 L HA 0.380 4.719 4.340 -0.002 0.000 0.278 352 L C 0.543 177.266 176.870 -0.246 0.000 0.996 352 L CA -0.555 53.941 54.840 -0.572 0.000 0.831 352 L CB 1.120 42.753 42.059 -0.711 0.000 1.232 352 L HN 0.460 nan 8.230 nan 0.000 0.413 353 F N 1.505 121.346 119.950 -0.181 0.000 2.365 353 F HA 0.035 4.561 4.527 -0.001 0.000 0.300 353 F C 1.976 177.661 175.800 -0.190 0.000 1.090 353 F CA 0.649 58.559 58.000 -0.150 0.000 1.408 353 F CB -0.673 38.265 39.000 -0.103 0.000 1.060 353 F HN 0.781 nan 8.300 nan 0.000 0.534 354 G N -0.000 108.823 108.800 0.039 0.000 2.141 354 G HA2 -0.311 3.647 3.960 -0.002 0.000 0.242 354 G HA3 -0.311 3.647 3.960 -0.002 0.000 0.242 354 G C 0.404 175.327 174.900 0.040 0.000 0.982 354 G CA -0.152 44.935 45.100 -0.021 0.000 0.662 354 G HN 0.357 nan 8.290 nan 0.000 0.527 355 K N 0.803 121.283 120.400 0.135 0.000 2.484 355 K HA 0.217 4.536 4.320 -0.002 0.000 0.280 355 K C -0.723 175.985 176.600 0.180 0.000 1.013 355 K CA -0.513 55.883 56.287 0.181 0.000 1.029 355 K CB 1.185 33.794 32.500 0.182 0.000 0.902 355 K HN 0.114 nan 8.250 nan 0.000 0.481 356 P HA -0.169 nan 4.420 nan 0.000 0.221 356 P C -0.450 176.897 177.300 0.079 0.000 1.150 356 P CA 1.361 64.556 63.100 0.160 0.000 0.800 356 P CB 0.247 32.066 31.700 0.198 0.000 0.787 357 E N -1.821 118.399 120.200 0.034 0.000 2.442 357 E HA 0.617 4.966 4.350 -0.002 0.000 0.278 357 E C -1.431 175.154 176.600 -0.025 0.000 1.082 357 E CA -1.094 55.304 56.400 -0.004 0.000 0.861 357 E CB 0.998 30.684 29.700 -0.023 0.000 1.462 357 E HN -0.055 nan 8.360 nan 0.000 0.458 358 I N 0.113 120.663 120.570 -0.033 0.000 2.918 358 I HA 0.459 4.628 4.170 -0.002 0.000 0.301 358 I C -2.099 173.996 176.117 -0.038 0.000 1.312 358 I CA -0.496 60.783 61.300 -0.034 0.000 1.007 358 I CB 2.409 40.399 38.000 -0.017 0.000 1.281 358 I HN 0.703 nan 8.210 nan 0.000 0.440 359 D N 4.904 125.282 120.400 -0.036 0.000 2.668 359 D HA 0.592 5.231 4.640 -0.002 0.000 0.247 359 D C -0.288 175.998 176.300 -0.023 0.000 1.268 359 D CA 0.984 54.966 54.000 -0.031 0.000 0.842 359 D CB 0.840 41.620 40.800 -0.035 0.000 1.399 359 D HN 1.114 nan 8.370 nan 0.000 0.530 360 G N 0.753 109.542 108.800 -0.019 0.000 2.297 360 G HA2 0.079 4.038 3.960 -0.002 0.000 0.209 360 G HA3 0.079 4.038 3.960 -0.002 0.000 0.209 360 G C -0.839 174.056 174.900 -0.009 0.000 1.267 360 G CA -0.304 44.788 45.100 -0.013 0.000 1.127 360 G HN 0.546 nan 8.290 nan 0.000 0.498 361 S N 0.061 115.760 115.700 -0.002 0.000 2.499 361 S HA 0.665 5.134 4.470 -0.002 0.000 0.275 361 S C 0.198 174.804 174.600 0.010 0.000 1.257 361 S CA 0.316 58.517 58.200 0.003 0.000 1.050 361 S CB 0.493 63.697 63.200 0.007 0.000 0.937 361 S HN 0.836 nan 8.310 nan 0.000 0.490 362 R N 3.128 123.638 120.500 0.017 0.000 2.643 362 R HA 0.293 4.632 4.340 -0.002 0.000 0.269 362 R C -1.177 175.158 176.300 0.057 0.000 1.037 362 R CA -0.783 55.338 56.100 0.035 0.000 0.894 362 R CB 1.218 31.535 30.300 0.029 0.000 1.238 362 R HN 0.695 nan 8.270 nan 0.000 0.459 363 R N 4.842 125.399 120.500 0.095 0.000 2.272 363 R HA 0.172 4.511 4.340 -0.002 0.000 0.334 363 R C 0.366 176.791 176.300 0.207 0.000 1.117 363 R CA 0.047 56.230 56.100 0.137 0.000 0.966 363 R CB 0.337 30.749 30.300 0.186 0.000 1.049 363 R HN 0.604 nan 8.270 nan 0.000 0.477 364 L N 2.809 124.053 121.223 0.034 0.000 2.554 364 L HA 0.305 4.644 4.340 -0.002 0.000 0.225 364 L C 1.073 177.515 176.870 -0.713 0.000 1.104 364 L CA 0.262 55.070 54.840 -0.054 0.000 0.866 364 L CB 0.473 42.615 42.059 0.139 0.000 1.047 364 L HN 0.774 nan 8.230 nan 0.000 0.468 365 G N -0.866 107.322 108.800 -1.019 0.000 2.489 365 G HA2 0.449 4.407 3.960 -0.002 0.000 0.305 365 G HA3 0.449 4.407 3.960 -0.002 0.000 0.305 365 G C -2.063 172.412 174.900 -0.707 0.000 1.311 365 G CA -0.217 43.954 45.100 -1.550 0.000 0.813 365 G HN -0.285 nan 8.290 nan 0.000 0.480 366 V N -0.889 118.793 119.914 -0.386 0.000 3.077 366 V HA 0.805 4.924 4.120 -0.002 0.000 0.299 366 V C -0.733 175.341 176.094 -0.033 0.000 1.276 366 V CA 0.119 62.386 62.300 -0.055 0.000 0.993 366 V CB 1.708 33.646 31.823 0.192 0.000 1.076 366 V HN 2.147 nan 8.190 nan 0.000 0.434 367 A N 6.178 129.004 122.820 0.011 0.000 2.312 367 A HA 0.960 5.279 4.320 -0.002 0.000 0.328 367 A C -1.217 176.416 177.584 0.082 0.000 1.158 367 A CA -0.610 51.444 52.037 0.027 0.000 0.821 367 A CB 1.131 20.144 19.000 0.021 0.000 1.170 367 A HN 0.937 nan 8.150 nan 0.000 0.490 368 L N 1.101 122.373 121.223 0.081 0.000 2.410 368 L HA 0.786 5.124 4.340 -0.002 0.000 0.270 368 L C 0.031 176.956 176.870 0.092 0.000 0.983 368 L CA -0.376 54.527 54.840 0.105 0.000 0.822 368 L CB 2.156 44.278 42.059 0.104 0.000 1.285 368 L HN 0.892 nan 8.230 nan 0.000 0.409 369 A N 1.195 124.078 122.820 0.105 0.000 2.587 369 A HA 0.921 5.240 4.320 -0.002 0.000 0.293 369 A C -0.676 176.964 177.584 0.095 0.000 1.087 369 A CA -0.470 51.620 52.037 0.088 0.000 0.692 369 A CB 2.177 21.226 19.000 0.082 0.000 1.291 369 A HN 0.619 nan 8.150 nan 0.000 0.407 370 T N -1.569 113.030 114.554 0.076 0.000 2.907 370 T HA 0.974 5.323 4.350 -0.002 0.000 0.292 370 T C -0.311 174.422 174.700 0.054 0.000 1.043 370 T CA -0.003 62.143 62.100 0.076 0.000 1.003 370 T CB 1.688 70.605 68.868 0.081 0.000 1.084 370 T HN 2.490 nan 8.240 nan 0.000 0.483 371 A N 0.967 123.818 122.820 0.051 0.000 2.511 371 A HA 0.686 5.004 4.320 -0.002 0.000 0.293 371 A C 0.303 177.905 177.584 0.030 0.000 1.098 371 A CA -0.571 51.485 52.037 0.032 0.000 0.643 371 A CB 0.421 19.435 19.000 0.023 0.000 1.302 371 A HN 0.635 nan 8.150 nan 0.000 0.446 372 E N 0.303 120.513 120.200 0.017 0.000 2.274 372 E HA 0.040 4.388 4.350 -0.002 0.000 0.194 372 E C 0.821 177.429 176.600 0.012 0.000 0.996 372 E CA 1.490 57.899 56.400 0.015 0.000 0.840 372 E CB -0.045 29.659 29.700 0.007 0.000 0.772 372 E HN 0.775 nan 8.360 nan 0.000 0.491 373 S N -2.113 113.590 115.700 0.006 0.000 2.595 373 S HA 0.355 4.823 4.470 -0.002 0.000 0.281 373 S C 0.946 175.541 174.600 -0.008 0.000 1.117 373 S CA -0.656 57.541 58.200 -0.005 0.000 0.873 373 S CB 1.788 64.975 63.200 -0.023 0.000 1.108 373 S HN -0.194 nan 8.310 nan 0.000 0.477 374 V N 1.879 121.779 119.914 -0.024 0.000 2.343 374 V HA -0.129 3.990 4.120 -0.002 0.000 0.247 374 V C 2.469 178.498 176.094 -0.109 0.000 1.051 374 V CA 2.027 64.304 62.300 -0.039 0.000 1.036 374 V CB -0.803 30.983 31.823 -0.061 0.000 0.654 374 V HN 0.776 nan 8.190 nan 0.000 0.451 375 V N 0.213 120.045 119.914 -0.138 0.000 2.287 375 V HA -0.298 3.821 4.120 -0.002 0.000 0.248 375 V C 2.286 178.330 176.094 -0.085 0.000 1.053 375 V CA 2.433 64.643 62.300 -0.150 0.000 1.027 375 V CB -0.647 31.100 31.823 -0.127 0.000 0.646 375 V HN 0.569 nan 8.190 nan 0.000 0.447 376 D N -0.016 120.355 120.400 -0.050 0.000 2.117 376 D HA -0.103 4.535 4.640 -0.002 0.000 0.197 376 D C 2.198 178.497 176.300 -0.002 0.000 0.987 376 D CA 1.539 55.524 54.000 -0.025 0.000 0.829 376 D CB -0.399 40.391 40.800 -0.017 0.000 0.961 376 D HN 0.433 nan 8.370 nan 0.000 0.460 377 A N 0.545 123.373 122.820 0.013 0.000 1.883 377 A HA -0.172 4.147 4.320 -0.002 0.000 0.217 377 A C 2.344 179.968 177.584 0.066 0.000 1.186 377 A CA 1.135 53.202 52.037 0.051 0.000 0.624 377 A CB -0.804 18.246 19.000 0.083 0.000 0.822 377 A HN 0.225 nan 8.150 nan 0.000 0.444 378 I N -0.643 119.954 120.570 0.044 0.000 2.179 378 I HA -0.259 3.910 4.170 -0.002 0.000 0.242 378 I C 2.552 178.701 176.117 0.054 0.000 1.088 378 I CA 1.830 63.167 61.300 0.061 0.000 1.357 378 I CB -0.324 37.655 38.000 -0.036 0.000 1.051 378 I HN 0.426 nan 8.210 nan 0.000 0.409 379 E N 1.408 121.619 120.200 0.019 0.000 2.051 379 E HA -0.258 4.091 4.350 -0.002 0.000 0.192 379 E C 2.253 178.894 176.600 0.068 0.000 0.991 379 E CA 1.528 57.948 56.400 0.033 0.000 0.799 379 E CB -0.197 29.503 29.700 -0.000 0.000 0.748 379 E HN 0.214 nan 8.360 nan 0.000 0.449 380 R N -0.381 120.151 120.500 0.052 0.000 2.083 380 R HA -0.141 4.197 4.340 -0.002 0.000 0.237 380 R C 2.250 178.613 176.300 0.105 0.000 1.137 380 R CA 1.597 57.737 56.100 0.066 0.000 0.951 380 R CB -0.485 29.841 30.300 0.044 0.000 0.851 380 R HN 0.275 nan 8.270 nan 0.000 0.434 381 A N 0.886 123.766 122.820 0.100 0.000 1.877 381 A HA -0.193 4.126 4.320 -0.002 0.000 0.216 381 A C 2.034 179.677 177.584 0.098 0.000 1.186 381 A CA 1.670 53.770 52.037 0.104 0.000 0.620 381 A CB -0.363 18.713 19.000 0.127 0.000 0.822 381 A HN 0.312 nan 8.150 nan 0.000 0.443 382 K N -1.588 118.874 120.400 0.104 0.000 2.026 382 K HA -0.195 4.123 4.320 -0.002 0.000 0.208 382 K C 2.086 178.732 176.600 0.076 0.000 1.048 382 K CA 1.742 58.079 56.287 0.084 0.000 0.929 382 K CB -0.328 32.221 32.500 0.082 0.000 0.713 382 K HN 0.737 nan 8.250 nan 0.000 0.439 383 H N 0.177 119.258 119.070 0.019 0.000 2.319 383 H HA -0.094 4.460 4.556 -0.002 0.000 0.299 383 H C 1.735 177.070 175.328 0.011 0.000 1.092 383 H CA 2.009 58.065 56.048 0.012 0.000 1.302 383 H CB -0.095 29.673 29.762 0.010 0.000 1.373 383 H HN 0.251 nan 8.280 nan 0.000 0.497 384 A N 0.894 123.770 122.820 0.094 0.000 1.883 384 A HA -0.127 4.192 4.320 -0.002 0.000 0.217 384 A C 2.644 180.206 177.584 -0.036 0.000 1.186 384 A CA 1.925 53.981 52.037 0.032 0.000 0.624 384 A CB -1.498 17.542 19.000 0.066 0.000 0.822 384 A HN 0.634 nan 8.150 nan 0.000 0.444 385 A N -0.560 122.247 122.820 -0.022 0.000 1.908 385 A HA 0.047 4.366 4.320 -0.002 0.000 0.218 385 A C 2.407 179.955 177.584 -0.059 0.000 1.181 385 A CA 2.074 54.088 52.037 -0.038 0.000 0.627 385 A CB -1.431 17.555 19.000 -0.023 0.000 0.818 385 A HN 0.837 nan 8.150 nan 0.000 0.445 386 G N -1.613 107.131 108.800 -0.092 0.000 2.443 386 G HA2 -0.150 3.808 3.960 -0.002 0.000 0.219 386 G HA3 -0.150 3.808 3.960 -0.002 0.000 0.219 386 G C 1.502 176.311 174.900 -0.152 0.000 1.131 386 G CA 0.822 45.849 45.100 -0.122 0.000 0.775 386 G HN 0.480 nan 8.290 nan 0.000 0.547 387 Q N -0.022 119.667 119.800 -0.186 0.000 2.245 387 Q HA 0.066 4.405 4.340 -0.002 0.000 0.201 387 Q C 1.130 177.094 176.000 -0.059 0.000 0.955 387 Q CA 0.107 55.825 55.803 -0.143 0.000 0.870 387 Q CB -0.155 28.505 28.738 -0.130 0.000 0.945 387 Q HN 0.319 nan 8.270 nan 0.000 0.461 388 V N 3.190 123.083 119.914 -0.036 0.000 2.485 388 V HA -0.045 4.074 4.120 -0.002 0.000 0.287 388 V C 0.474 176.584 176.094 0.027 0.000 1.022 388 V CA 0.431 62.742 62.300 0.018 0.000 1.067 388 V CB 0.147 31.992 31.823 0.036 0.000 0.967 388 V HN 0.071 nan 8.190 nan 0.000 0.479 389 K N 4.561 124.980 120.400 0.032 0.000 2.268 389 K HA 0.411 4.730 4.320 -0.002 0.000 0.276 389 K C -0.786 175.804 176.600 -0.016 0.000 1.080 389 K CA -0.500 55.788 56.287 0.001 0.000 0.910 389 K CB 1.394 33.887 32.500 -0.012 0.000 1.163 389 K HN 0.471 nan 8.250 nan 0.000 0.465 390 V N 4.617 124.506 119.914 -0.042 0.000 2.389 390 V HA 0.056 4.175 4.120 -0.002 0.000 0.264 390 V C 0.182 176.168 176.094 -0.179 0.000 1.049 390 V CA -0.373 61.838 62.300 -0.149 0.000 0.932 390 V CB 0.432 32.201 31.823 -0.090 0.000 1.011 390 V HN 0.687 nan 8.190 nan 0.000 0.475 391 Q N 2.674 122.324 119.800 -0.251 0.000 2.226 391 Q HA 0.708 5.047 4.340 -0.002 0.000 0.256 391 Q C 0.368 176.251 176.000 -0.196 0.000 0.962 391 Q CA -0.463 55.232 55.803 -0.180 0.000 0.887 391 Q CB 2.380 31.031 28.738 -0.145 0.000 1.282 391 Q HN 0.829 nan 8.270 nan 0.000 0.449 392 G N 0.000 108.722 108.800 -0.129 0.000 5.446 392 G HA2 0.000 3.959 3.960 -0.002 0.000 0.244 392 G HA3 0.000 3.959 3.960 -0.002 0.000 0.244 392 G CA 0.000 45.033 45.100 -0.112 0.000 0.502 392 G HN 0.000 nan 8.290 nan 0.000 0.925